SCHEMBL3768586

SCHEMBL3768586

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.51
OPRL1 P41146 9/20 0.49
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADAM17 P78536 3/20 0.45
MMP13 P45452 1/20 0.45
NR4A2 P43354 1/20 0.43
TEC P42680 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
SCHEMBL3763189 0.85 OPRL1 (0.48) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL1364646 0.84 ADAM17 (0.60) OPRL1ADAM17MMP13
Hydrochloric Acid SCHEMBL2176855 0.83 ADAM17 (0.59) OPRL1ADAM17MMP13
Hydrochloric Acid SCHEMBL2172680 0.83 ADAM17 (0.59) OPRL1ADAM17MMP13
SCHEMBL6628522 0.74 POLB (0.50) EHMT2ALDH1A1NR4A2
SCHEMBL13059430 0.74 POLB (0.50) EHMT2ALDH1A1NR4A2
Hydrochloric Acid SCHEMBL3770405 0.73 POLB (0.49) EHMT2ALDH1A1NR4A2
SCHEMBL6632245 0.73 ADAM17 (0.63) ADAM17MMP13
SCHEMBL8353322 0.72 ADAM17 (0.62) ADAM17MMP13
SCHEMBL5887602 0.71 ADAM17 (0.61) ADAM17MMP13

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 EHMT2 4042/4885OPRL1 2233/4885ALDH1A1 1941/4885

“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.