SCHEMBL15312596

SCHEMBL15312596

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
XIAP P98170 2/20 0.34
POLB P06746 1/20 0.34
CTSB P07858 1/20 0.33

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
SCHEMBL2115853 0.92 XIAP (0.41) ALDH1A1XIAPCTSB
SCHEMBL2115900 0.88 ALDH1A1 (0.37) SMN1; SMN2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL15095357 0.84 XIAP (0.42) SMN1; SMN2MEN1KMT2AXIAPPOLB
SCHEMBL2114000 0.84 XIAP (0.38) L3MBTL1MAPTXIAP
SCHEMBL2115163 0.81 XIAP (0.42) CYP3A4CYP2C9CYP2C19GAAMAPT
SCHEMBL2113164 0.81 XIAP (0.43) SMN1; SMN2CYP2C9GAAALDH1A1XIAP
SCHEMBL2115282 0.80 XIAP (0.40) ALDH1A1XIAP
SCHEMBL2114216 0.79 EPHX2 (0.40) SMN1; SMN2CYP3A4CYP2C9CYP2C19TP53
SCHEMBL2115895 0.79 XIAP (0.45) CYP3A4CYP2C9CYP2C19XIAP
SCHEMBL2113658 0.78 XIAP (0.35) CYP3A4CYP2C9CYP2C19XIAP

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-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 SMN1; SMN2 1032/4885LMNA 767/4885CYP3A4 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.