SCHEMBL2115902

SCHEMBL2115902

CNC(C)C(=O)NC(C(=O)N1CCC2C1C(C(=O)NCc1ccc(F)cc1)CN2S(C)(=O)=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
BIRC2 Q13490 9/20 0.42
XIAP P98170 8/20 0.41
BIRC3 Q13489 4/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2631841 1.00 GLA (0.43) GLABIRC2XIAPBIRC3ALDH1A1
SCHEMBL2115283 0.92 XIAP (0.46) BIRC2XIAPBIRC3
SCHEMBL2631838 0.92 XIAP (0.46) BIRC2XIAPBIRC3
SCHEMBL13049925 0.87 GLA (0.42) GLABIRC2XIAPBIRC3CYP3A4
SCHEMBL15312597 0.87 GLA (0.42) GLABIRC2XIAPBIRC3CYP3A4
SCHEMBL2117128 0.85 XIAP (0.45) BIRC2XIAPBIRC3
SCHEMBL2114710 0.85 XIAP (0.45) BIRC2XIAPBIRC3
SCHEMBL2632164 0.85 XIAP (0.45) BIRC2XIAPBIRC3
SCHEMBL15085692 0.85 XIAP (0.45) BIRC2XIAPBIRC3
SCHEMBL2632138 0.84 CYP3A4 (0.40) BIRC2XIAPBIRC3CYP3A4

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 GLA 921/4885BIRC2 4/4885XIAP 1/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 GLA 921/4885BIRC2 4/4885XIAP 1/4885

“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.