SCHEMBL3738751

SCHEMBL3738751

COc1ccc(-c2ccncc2)c(CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
KDM4E B2RXH2 5/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
RIN1 Q13671 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP46A1 Q9Y6A2 2/20 0.45
LCK P06239 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL3738351 0.88 HSD17B10 (0.64) HSD17B10CYP11B1CYP11B2KDM4EABL1
SCHEMBL9890648 0.87 HSD17B10 (0.62) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL3737508 0.85 CYP11B2 (0.55) HSD17B10CYP11B1CYP11B2KDM4ETHRA
SCHEMBL3735319 0.84 HSD17B10 (0.59) HSD17B10CYP11B1CYP11B2KDM4EABL1
SCHEMBL3736235 0.83 HSD17B10 (0.57) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL5235960 0.80 HSD17B10 (0.54) HSD17B10KDM4EPTGS1SMN1; SMN2LCK
SCHEMBL11889771 0.78 HSD17B10 (0.55) HSD17B10KDM4EABL1SMN1; SMN2MMP2
SCHEMBL3741185 0.78 PTGDR2 (0.49) CYP11B1CYP11B2AKR1C3AKR1C2CYP46A1
SCHEMBL3736875 0.78 KEAP1 (0.47) MAPTCYP46A1THRATHRBCDC7
SCHEMBL3749551 0.77 HSD17B10 (0.54) HSD17B10KDM4EPTGS1AKR1C3SMN1; SMN2

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 HSD17B10 120/4885CYP11B1 1685/4885CYP11B2 2542/4885

“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.