SCHEMBL3731508

SCHEMBL3731508

COc1ccc(-c2ccc(N)cc2CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MMP2 P08253 3/20 0.47
MMP12 P39900 3/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 2/20 0.46
MMP16 P51512 2/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
KDM4E B2RXH2 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BACE1 P56817 2/20 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) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL28235915 0.86 HPGD (0.44) HSD17B10KDM4ECYP2C9CYP2C19HPGD
SCHEMBL15703754 0.83 MEN1 (0.55) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL3749551 0.83 HSD17B10 (0.54) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL3735319 0.81 HSD17B10 (0.59) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL9890648 0.81 HSD17B10 (0.62) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL3736235 0.80 HSD17B10 (0.57) SMN1; SMN2HSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL4216332 0.79 MMP2 (0.62) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL3740107 0.79 CYP1A2 (0.51) SMN1; SMN2HSD17B10MMP2MMP12MMP9
SCHEMBL3735681 0.79 KDM4E (0.49) SMN1; SMN2HSD17B10MMP2MMP12MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP disclosed
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 SMN1; SMN2 3634/4885HSD17B10 120/4885MMP2 142/4885

“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.