SCHEMBL8510880

SCHEMBL8510880

CCCNC(=O)N1CC(O)C2C1CCN2C(=O)C(NC(=O)C(C)NC)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.35
CASP9 P55211 1/20 0.35
BIRC2 Q13490 10/20 0.34
BIRC3 Q13489 6/20 0.34
CYP3A4 P08684 5/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 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
SCHEMBL9613487 0.88 XIAP (0.40) XIAPCASP9BIRC2BIRC3CYP3A4
SCHEMBL8510876 0.88 XIAP (0.40) XIAPCASP9BIRC2BIRC3CYP3A4
SCHEMBL8512167 0.81 XIAP (0.43) XIAPCASP9BIRC2BIRC3
SCHEMBL8510538 0.80 BIRC2 (0.41) XIAPCASP9BIRC2BIRC3
SCHEMBL8514994 0.80 DPP4 (0.44) LMNA
SCHEMBL8512115 0.79 XIAP (0.41) XIAPCASP9BIRC2BIRC3CYP3A4
SCHEMBL8512451 0.77 XIAP (0.37) XIAPCASP9BIRC2BIRC3CYP3A4
SCHEMBL9613484 0.77 XIAP (0.37) XIAPCASP9BIRC2BIRC3CYP3A4
SCHEMBL9613488 0.76 XIAP (0.38) XIAPCASP9BIRC2BIRC3CYP3A4
SCHEMBL8511481 0.76 XIAP (0.38) XIAPCASP9BIRC2BIRC3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885CASP9 63/4885BIRC2 4/4885

“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.