SCHEMBL2113712

SCHEMBL2113712

CNC(C)C(=O)NC(C(=O)N1CCC2C1C(C(=O)Nc1cccc3cccnc13)CN2S(C)(=O)=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 7/20 0.48
EPHX2 P34913 1/20 0.40
CYP3A4 P08684 6/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
BIRC3 Q13489 3/20 0.38
BIRC2 Q13490 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2632147 1.00 XIAP (0.48) XIAPEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL23847452 1.00 XIAP (0.48) XIAPEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL2632118 0.90 XIAP (0.41) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2113474 0.90 XIAP (0.41) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2632123 0.88 XIAP (0.46) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2113168 0.88 XIAP (0.46) XIAPCYP3A4CYP2C9CYP2C19BIRC3
SCHEMBL2632172 0.88 EPHX2 (0.42) XIAPEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL10284560 0.88 XIAP (0.39) XIAPEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL2115167 0.88 EPHX2 (0.42) XIAPEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL2113801 0.88 XIAP (0.39) XIAPEPHX2CYP3A4CYP2C9CYP2C19

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
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885EPHX2 3715/4885CYP3A4 3818/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885EPHX2 3715/4885CYP3A4 3818/4885

“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.