SCHEMBL3737508

SCHEMBL3737508

COc1ccc(-c2cccnc2)c(CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.55
CYP11B1 P15538 10/20 0.55
HSD17B10 Q99714 2/20 0.54
CYP17A1 P05093 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP19A1 P11511 2/20 0.53
CYP2C9 P11712 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL9890648 0.86 HSD17B10 (0.62) HSD17B10KDM4E
SCHEMBL3738751 0.85 HSD17B10 (0.57) CYP11B2CYP11B1HSD17B10CYP2C9KDM4E
SCHEMBL3738351 0.82 HSD17B10 (0.64) CYP11B2CYP11B1HSD17B10CYP2C9KDM4E
SCHEMBL1801441 0.81 CYP11B2 (0.52) CYP11B2CYP11B1HSD17B10CYP17A1CYP3A4
SCHEMBL1803698 0.81 CYP11B2 (0.48) CYP11B2CYP11B1HSD17B10CYP17A1CYP3A4
SCHEMBL11889771 0.80 HSD17B10 (0.55) HSD17B10CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL1805030 0.80 CYP11B2 (0.47) CYP11B2CYP11B1HSD17B10CYP17A1CYP3A4
SCHEMBL3749575 0.80 NAPRT (0.47) CYP11B2CYP11B1CYP17A1CYP3A4KDM4E
SCHEMBL5199654 0.80 KCNA5 (0.51) CYP11B2CYP11B1CYP17A1CYP3A4KDM4E
SCHEMBL4842336 0.80 SMN1; SMN2 (0.66) CYP11B2CYP11B1HSD17B10CYP17A1CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US claimed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP claimed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO claimed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 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 (1 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 CYP11B2 2542/4885CYP11B1 1685/4885HSD17B10 120/4885

“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.