SCHEMBL167302

SCHEMBL167302

COC(=O)c1scc(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
PKM P14618 1/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 2/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTR1A P08908 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL24210733 0.82 MAPT (0.43) MAPTPKMATMPOLBCYP1A2
SCHEMBL2454697 0.82 GSK3B (0.46) MAPTPKMATMPOLBCYP1A2
SCHEMBL1529989 0.82 MAPT (0.46) MAPTPKMATMPOLBCYP1A2
SCHEMBL3581664 0.82 MAPT (0.50) MAPTPKMATMPOLBCYP1A2
SCHEMBL22692943 0.81 CYP1A2 (0.49) MAPTPKMATMPOLBCYP1A2
SCHEMBL17834830 0.80 MAPT (0.53) MAPTPKMATMPOLBCYP1A2
SCHEMBL397136 0.80 MAPT (0.49) MAPTPKMATMPOLBCYP1A2
SCHEMBL163725 0.80 KDM4E (0.57) MAPTPKMATMPOLBCYP1A2
SCHEMBL7914722 0.80 MAPT (0.49) MAPTPKMATMPOLBCYP1A2
SCHEMBL2987502 0.80 MAPT (0.49) MAPTPKMATMPOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO claimed
EP-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
EP-2729455-B1 BIARYL DERIVATIVES AS NACHR MODULATORS LUPIN LTD (IN) 2016-09-14 EP disclosed
EP-2729455-B1 BIARYL DERIVATIVES AS NACHR MODULATORS LUPIN LTD (IN) 2016-09-14 EP disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-8946432-B2 Biaryl derivatives as nAChR modulators LUPIN LIMITED (IN) 2015-02-03 US disclosed
US-8946432-B2 Biaryl derivatives as nAChR modulators LUPIN LIMITED (IN) 2015-02-03 US disclosed
US-20140155433-A1 BIARYL DERIVATIVES AS NACHR MODULATORS LUPIN LIMITED (IN) 2014-06-05 US disclosed
US-20140155433-A1 BIARYL DERIVATIVES AS NACHR MODULATORS LUPIN LIMITED (IN) 2014-06-05 US disclosed
EP-2729455-A1 BIARYL DERIVATIVES AS NACHR MODULATORS Lupin Limited (IN) 2014-05-14 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 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 (5 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 MAPT 3584/4885PKM 146/4885ATM 112/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 MAPT 758/4885PKM 354/4885ATM 436/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 MAPT 1370/4885PKM 328/4885ATM 199/4885
US-20140155433-A1 BIARYL DERIVATIVES AS NACHR MODULATORS CHRM2, CHRM1, CHRM5 MAPT 330/4885PKM 2682/4885ATM 1857/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 MAPT 2963/4885PKM 152/4885ATM 136/4885

“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.