SCHEMBL2115900

SCHEMBL2115900

CNC(C)C(=O)NC(C(=O)CS(=O)(=O)N1CCC2NCC(C(=O)NCc3ccc(F)cc3)C21)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BIRC2 Q13490 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
XIAP P98170 4/20 0.35
TP53 P04637 1/20 0.35
BIRC3 Q13489 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2115282 0.93 XIAP (0.40) ALDH1A1BIRC2XIAPBIRC3
SCHEMBL15312596 0.88 SMN1; SMN2 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL2114707 0.86 XIAP (0.39) ALDH1A1CYP3A4CYP2C19BIRC2XIAP
SCHEMBL2116974 0.85 CYP3A4 (0.35) CYP3A4BIRC2XIAPBIRC3
SCHEMBL2116957 0.84 XIAP (0.41) BIRC2XIAPBIRC3
SCHEMBL2113999 0.84 EPHX2 (0.35) BIRC2GAAXIAPBIRC3
SCHEMBL2115930 0.83 XIAP (0.43) BIRC2XIAPBIRC3
SCHEMBL2115379 0.82 ALDH1A1 (0.38) ALDH1A1BIRC2LMNAXIAPBIRC3
SCHEMBL2115825 0.82 XIAP (0.40) ALDH1A1BIRC2XIAPBIRC3
SCHEMBL2115491 0.81 XIAP (0.40) BIRC2LMNAMEN1KMT2AXIAP

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 ALDH1A1 4750/4885CYP3A4 3818/4885CYP2C9 4718/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885CYP3A4 3818/4885CYP2C9 4718/4885

“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.