SCHEMBL1104543

SCHEMBL1104543

COC(=O)[C@]1(CCC#N)CC[C@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.43
ALDH1A1 P00352 1/20 0.40
PRMT5 O14744 4/20 0.39
GUSB P08236 1/20 0.39
ADAM17 P78536 2/20 0.38
GHSR Q92847 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL1104530 0.92 YAP1 (0.44) YAP1ALDH1A1PRMT5ADAM17GHSR
SCHEMBL1104560 0.92 YAP1 (0.44) YAP1ALDH1A1PRMT5ADAM17GHSR
SCHEMBL10167532 0.89 YAP1 (0.44) YAP1PRMT5ADAM17GHSRTP53
SCHEMBL10167537 0.87 YAP1 (0.46) YAP1PRMT5ADAM17GHSRTP53
SCHEMBL13172547 0.87 YAP1 (0.44) YAP1PRMT5ADAM17GHSRTP53
SCHEMBL14019388 0.87 YAP1 (0.44) YAP1PRMT5ADAM17GHSRTP53
SCHEMBL1104528 0.83 YAP1 (0.48) YAP1PRMT5ADAM17GHSRTP53
SCHEMBL1104540 0.83 YAP1 (0.41) YAP1ALDH1A1GUSBADAM17GHSR
SCHEMBL483258 0.82 PRMT5 (0.45) YAP1PRMT5GHSRTP53
SCHEMBL4770854 0.82 PRMT5 (0.45) YAP1PRMT5GHSRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US 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 (2 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 YAP1 1640/4885ALDH1A1 895/4885PRMT5 3104/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B YAP1 3425/4885ALDH1A1 1652/4885PRMT5 319/4885

“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.