SCHEMBL10247058

SCHEMBL10247058

Cc1cnc(C)c(OCc2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL82592 0.84 THRB (0.43) PTPN1L3MBTL1LMNACYP2C19CYP1A2
SCHEMBL10247270 0.83 PTPN1 (0.49) PTPN1L3MBTL1LMNACYP1A2HPGD
SCHEMBL5665433 0.81 L3MBTL1 (0.42) PTPN1L3MBTL1LMNACYP2C19CYP1A2
SCHEMBL19625792 0.81 MAPT (0.56) PTPN1L3MBTL1LMNACYP2C19HPGD
SCHEMBL79942 0.79 HPGD (0.56) PTPN1L3MBTL1LMNACYP2C19HPGD
SCHEMBL5665324 0.77 L3MBTL1 (0.43) PTPN1L3MBTL1LMNACYP1A2HPGD
SCHEMBL26043758 0.75 LMNA (0.46) PTPN1L3MBTL1LMNACYP2C19CYP1A2
SCHEMBL4149747 0.75 LMNA (0.48) PTPN1L3MBTL1LMNACYP2C19CYP1A2
SCHEMBL2047599 0.75 PTPN1 (0.58) PTPN1L3MBTL1LMNACYP2C19CYP1A2
SCHEMBL5664859 0.75 L3MBTL1 (0.44) PTPN1L3MBTL1LMNACYP2C19CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000508-B2 Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate SHIONOGI & CO., LTD (JP) 2018-06-19 US disclosed
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS LIMITED (IN) 2018-06-07 US disclosed
US-9969750-B2 Method of producing (3S,11aR)-6,8-dihalo-3-methyl-2,3,11,11a-tetrahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-5,7-diones SHIONOGI AND CO., LTD. (JP) 2018-05-15 US disclosed
US-20180044351-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-02-15 US disclosed
US-20180037592-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-02-08 US disclosed
US-20180037593-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-02-08 US disclosed
US-20180037591-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-02-08 US disclosed
US-9856271-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2018-01-02 US disclosed
US-20170369509-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-12-28 US disclosed
US-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-21 US disclosed
US-20150232479-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2015-08-20 US disclosed
US-9051337-B2 Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-a]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides SHIONOGI & CO., LTD. (JP) 2015-06-09 US disclosed
US-20150038702-A1 Method of producing compounds having HIV integrase inhivitory activity SHINOGI & CO., LTD. (JP) 2015-02-05 US disclosed
US-20140200209-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE COMPANY (US) 2014-07-17 US disclosed
US-8778943-B2 Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-α]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides SHIONOGI & CO., LTD. (JP) 2014-07-15 US disclosed
US-20140011995-A1 Process for Preparing Compound Having HIV Integrase Inhibitory Activity SHINOGI & CO., LTD (JP) 2014-01-09 US disclosed
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE COMPANY (US) 2013-07-04 US disclosed
US-8410103-B2 (3S,11aR)-N-[2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide useful as anti-HIV agent SHIONOGI & CO., LTD. (JP) 2013-04-02 US disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY GLAXOSMITHKLINE LLC 2012-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150038702-A1 Method of producing compounds having HIV integrase inhivitory activity XDH, IMPDH1, IMPA1 PTPN1 2013/4885L3MBTL1 2128/4885LMNA 1129/4885
US-20180037592-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 PTPN1 1750/4885L3MBTL1 1022/4885LMNA 2283/4885
US-20140200209-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 PTPN1 2364/4885L3MBTL1 858/4885LMNA 4751/4885
US-20180044351-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY CYP3A4, DRD4, CCND2 PTPN1 2970/4885L3MBTL1 781/4885LMNA 1954/4885
US-10000508-B2 Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate DPYD, ODC1, PKD1 PTPN1 4303/4885L3MBTL1 2308/4885LMNA 1330/4885
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 PTPN1 2353/4885L3MBTL1 851/4885LMNA 4751/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 PTPN1 3803/4885L3MBTL1 683/4885LMNA 2218/4885
US-20140011995-A1 Process for Preparing Compound Having HIV Integrase Inhibitory Activity DRD4, XDH, CCND2 PTPN1 1503/4885L3MBTL1 1455/4885LMNA 2143/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 PTPN1 4214/4885L3MBTL1 4638/4885LMNA 3050/4885
US-20180037593-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 PTPN1 1750/4885L3MBTL1 1022/4885LMNA 2283/4885
US-20150232479-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 PTPN1 2028/4885L3MBTL1 1006/4885LMNA 4705/4885
US-20180037591-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 PTPN1 1750/4885L3MBTL1 1022/4885LMNA 2283/4885
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 PTPN1 2353/4885L3MBTL1 851/4885LMNA 4751/4885
US-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 PTPN1 2364/4885L3MBTL1 858/4885LMNA 4751/4885
US-20170369509-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 PTPN1 2364/4885L3MBTL1 858/4885LMNA 4751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.