SCHEMBL3763189

SCHEMBL3763189

Cc1cc(COc2ccc(N)cc2)c2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.48
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 4/20 0.46
ADAM17 P78536 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP13 P45452 1/20 0.45
CHRM4 P08173 1/20 0.43
CACNA1C Q13936 1/20 0.40

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
SCHEMBL3768586 0.85 EHMT2 (0.51) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL1364646 0.84 ADAM17 (0.60) OPRL1ADAM17MMP13
SCHEMBL3879828 0.83 ADAM17 (0.50) ADAM17MMP13
Hydrochloric Acid SCHEMBL2172680 0.83 ADAM17 (0.59) OPRL1ADAM17MMP13
Hydrochloric Acid SCHEMBL2176855 0.83 ADAM17 (0.59) OPRL1ADAM17MMP13
SCHEMBL3794932 0.79 CHRM4 (0.44) ALDH1A1CASP1CASP7HSD17B10SMN1; SMN2
SCHEMBL13059432 0.74 KDM4E (0.47) ALDH1A1HSD17B10PKMHTTSMN1; SMN2
SCHEMBL3890125 0.74 ADAM17 (0.47) ADAM17MMP13
SCHEMBL3890121 0.74 ADAM17 (0.47) ADAM17MMP13
SCHEMBL6632245 0.73 ADAM17 (0.63) ADAM17HTTSMN1; SMN2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY OPRL1 2233/4885ALDH1A1 1941/4885CASP1 215/4885

“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.