SCHEMBL2114887

SCHEMBL2114887

CNC(C)C(=O)NC(C(=O)N1CCC2C1C(C(=O)N[C@H](C)C1CCCCC1)CN2S(C)(=O)=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.36
CASP9 P55211 1/20 0.36
CYP3A4 P08684 6/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
BIRC2 Q13490 10/20 0.35
BIRC3 Q13489 4/20 0.35

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
SCHEMBL2632195 1.00 XIAP (0.36) XIAPCASP9CYP3A4CYP2C9CYP2C19
SCHEMBL2632119 1.00 XIAP (0.36) XIAPCASP9CYP3A4CYP2C9CYP2C19
SCHEMBL2114992 1.00 XIAP (0.36) XIAPCASP9CYP3A4CYP2C9CYP2C19
SCHEMBL15085697 0.86 XIAP (0.39) XIAPCASP9CYP3A4CYP2C9CYP2C19
SCHEMBL2114001 0.82 XIAP (0.44) XIAPCASP9BIRC2BIRC3
SCHEMBL2632085 0.82 XIAP (0.44) XIAPCASP9BIRC2BIRC3
SCHEMBL2114002 0.81 XIAP (0.41) XIAPBIRC2BIRC3
SCHEMBL10284006 0.81 XIAP (0.41) XIAPBIRC2BIRC3
SCHEMBL10284377 0.80 XIAP (0.44) XIAPCASP9BIRC2BIRC3
SCHEMBL2115855 0.80 XIAP (0.44) XIAPCASP9BIRC2BIRC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885CASP9 63/4885CYP3A4 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.