Sugi Predict

Sugi Predict / Compounds / SCHEMBL16181523

SCHEMBL16181523

SCHEMBL16181523

CCOC(=O)c1cn(CC=O)c(C(=O)OCC)c(Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.43
▸ BAZ2A Q9UIF9 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ STAT3 P40763 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL18233762 0.87 BAZ2B (0.37) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL21120768 0.86 ALDH1A1 (0.52) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL10188377 0.86 KMT2A (0.44) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL16181517 0.84 LMNA (0.50) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL15143781 0.81 BAZ2B (0.42) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL19755577 0.80 NR4A2 (0.35) KMT2ALMNAALDH1A1CYP1A2HTT
SCHEMBL16181520 0.79 KMT2A (0.41) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL10188405 0.78 ALDH1A1 (0.47) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL19755575 0.77 LMNA (0.43) KMT2ALMNABAZ2BBAZ2AALDH1A1
SCHEMBL10188389 0.76 LMNA (0.50) KMT2ALMNABAZ2BBAZ2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807648-B2 Process for preparing substituted polycyclic pyridone derivative and crystal thereof SHIONOGI & CO., LTD. (JP) 2023-11-07 — — US disclosed
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2019-05-28 — — US disclosed
EP-3456721-A2 METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY Shionogi & Co., Ltd (JP) 2019-03-20 — — EP disclosed
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-20180037593-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-02-08 — — US disclosed
US-20180037592-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-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 — — US disclosed
EP-2602260-B1 PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-09-28 — — EP disclosed
US-20160229870-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2016-08-11 — — US disclosed
EP-2412709-B1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO (JP) 2016-05-18 — — EP disclosed
US-9321789-B2 Methods of producing substituted (4R,12AS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazine-9-carboxamides SHINOGI & CO., LTD. (JP) 2016-04-26 — — US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 — — US disclosed
US-20150038702-A1 Method of producing compounds having HIV integrase inhivitory activity SHINOGI & CO., LTD. (JP) 2015-02-05 — — US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 — — US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 — — US disclosed
US-20140011995-A1 Process for Preparing Compound Having HIV Integrase Inhibitory Activity SHINOGI & CO., LTD (JP) 2014-01-09 — — 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 (13 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-11807648-B2 Process for preparing substituted polycyclic pyridone derivative and crystal thereof REN, C5, PDXK KMT2A 1192/4885LMNA 1586/4885BAZ2B 1244/4885
US-20150038702-A1 Method of producing compounds having HIV integrase inhivitory activity XDH, IMPDH1, IMPA1 KMT2A 1655/4885LMNA 1129/4885BAZ2B 387/4885
US-20180037592-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 KMT2A 1061/4885LMNA 2283/4885BAZ2B 262/4885
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 KMT2A 3600/4885LMNA 472/4885BAZ2B 1482/4885
US-20180044351-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY CYP3A4, DRD4, CCND2 KMT2A 1154/4885LMNA 1954/4885BAZ2B 414/4885
US-10000508-B2 Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate DPYD, ODC1, PKD1 KMT2A 1715/4885LMNA 1330/4885BAZ2B 2726/4885
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof CYP3A5, CYP3A43, CYP3A4 KMT2A 4332/4885LMNA 2611/4885BAZ2B 4472/4885
US-20160229870-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, VRK2, PYM1 KMT2A 1422/4885LMNA 1681/4885BAZ2B 304/4885
US-20140011995-A1 Process for Preparing Compound Having HIV Integrase Inhibitory Activity DRD4, XDH, CCND2 KMT2A 1048/4885LMNA 2143/4885BAZ2B 358/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 KMT2A 4227/4885LMNA 3050/4885BAZ2B 4382/4885
US-20180037593-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 KMT2A 1061/4885LMNA 2283/4885BAZ2B 262/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 KMT2A 3654/4885LMNA 472/4885BAZ2B 1549/4885
US-20180037591-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 KMT2A 1061/4885LMNA 2283/4885BAZ2B 262/4885

“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.