SCHEMBL93031

SCHEMBL93031

CCCCOc1c(C(=O)O)occc1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
LDHA P00338 2/20 0.41
PLA2G4B P0C869 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RARB P10826 4/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL28562770 0.94 MEN1 (0.47) TP53TSHRPLA2G4BTDP1RARB
SCHEMBL19346642 0.87 LDHA (0.39) LMNAGAATSHRLDHAPOLB
SCHEMBL13946439 0.87 KMT2A (0.38) LMNAGAALDHATHRATHRB
SCHEMBL4549708 0.85 MAOA (0.39) LMNAGAATSHRLDHATDP1
SCHEMBL19346633 0.85 MEN1 (0.36) LMNAGAATSHRLDHAPOLB
SCHEMBL10271760 0.84 LMNA (0.40) LMNAGAATSHRLDHATDP1
SCHEMBL17934208 0.84 LDHA (0.37) LMNAGAATP53TSHRLDHA
SCHEMBL19346634 0.82 MEN1 (0.36) LMNAGAATSHRLDHAPOLB
SCHEMBL17831467 0.81 MEN1 (0.38) LMNAGAATSHRLDHAPOLB
SCHEMBL29142515 0.80 MAOA (0.43) LMNATP53TSHRPLA2G4BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362252-A1 Spirocyclic Heterocycle Compounds Useful as HIV Integrase Inhibitors MERCK SHARP & DOHME LLC 2017-12-21 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-20170334924-A1 Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-23 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9802959-B2 Method of producing (4R,12aS)-7,9-dihalo-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-6,8-diones SHIONOGI & CO., LTD. (JP) 2017-10-31 US disclosed
EP-2370419-B1 MALTOL ETHER PROCESSES AND INTERMEDIATES SHIONOGI & CO (JP) 2017-09-27 EP disclosed
US-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-21 US disclosed
US-20170260203-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-14 US disclosed
WO-2017153919-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2017-09-14 WO disclosed
EP-2376080-B1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES SHIONOGI & CO (JP) 2017-09-13 EP disclosed
WO-2010011814-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011812-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011815-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 US disclosed
US-7579486-B2 Metalloprotein inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-08-25 US disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
WO-2007002109-A2 MULTIDENTATE PYRONE-DERIVED CHELATORS FOR MEDICINAL IMAGING AND CHELATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 WO 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 (9 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 LMNA 3336/4885GAA 156/4885TP53 1206/4885
US-20170260203-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 LMNA 4751/4885GAA 3623/4885TP53 2396/4885
US-20170362252-A1 Spirocyclic Heterocycle Compounds Useful as HIV Integrase Inhibitors CCNI, IDH3B, AKR1C3 LMNA 1075/4885GAA 2832/4885TP53 2249/4885
US-20170334924-A1 Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors CCNY, CDKN1A, RPIA LMNA 938/4885GAA 2137/4885TP53 1908/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT LMNA 2372/4885GAA 885/4885TP53 1643/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 LMNA 3336/4885GAA 156/4885TP53 1206/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 LMNA 1238/4885GAA 1254/4885TP53 601/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 LMNA 4751/4885GAA 3615/4885TP53 2384/4885
US-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 LMNA 4751/4885GAA 3623/4885TP53 2396/4885

“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.