SCHEMBL2113962

SCHEMBL2113962

CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(C(=O)NC1CCCc3ccccc31)CN2C(=O)C1CC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.46
BIRC3 Q13489 3/20 0.46
CASP9 P55211 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.38
EPHX1 P07099 1/20 0.38
BIRC2 Q13490 6/20 0.37
LMNA P02545 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
USP2 O75604 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2622153 1.00 XIAP (0.46) XIAPBIRC3CASP9ALDH1A1SMN1; SMN2
SCHEMBL17554688 0.88 XIAP (0.48) XIAPBIRC3ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL17554687 0.88 XIAP (0.48) XIAPBIRC3CASP9ALDH1A1SMN1; SMN2
SCHEMBL2631840 0.86 XIAP (0.63) XIAPBIRC3CASP9BIRC2
SCHEMBL2115252 0.86 XIAP (0.63) XIAPBIRC3CASP9BIRC2
SCHEMBL2622154 0.84 ALDH1A1 (0.44) XIAPBIRC3ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2115132 0.84 ALDH1A1 (0.44) XIAPBIRC3ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2622156 0.81 XIAP (0.45) XIAPBIRC3CASP9ALDH1A1BIRC2
SCHEMBL2117977 0.81 XIAP (0.45) XIAPBIRC3CASP9ALDH1A1BIRC2
SCHEMBL2115448 0.80 XIAP (0.63) XIAPBIRC3CASP9BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885BIRC3 5/4885CASP9 63/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC3 5/4885CASP9 63/4885

“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.