SCHEMBL15424291

SCHEMBL15424291

C#CCn1cc(C[C@@H]2CCCN2C(=O)C(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 14/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ XIAP P98170 1/20 0.37
▸ BIRC3 Q13489 1/20 0.37
▸ BIRC2 Q13490 1/20 0.36
▸ CTRC Q99895 1/20 0.36

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
SCHEMBL12303273 1.00 CMA1 (0.40) CMA1KMT2AMEN1ELANEXIAP
SCHEMBL12303272 0.93 BIRC2 (0.41) CMA1KMT2AMEN1ELANEXIAP
SCHEMBL2579341 0.93 BIRC2 (0.41) CMA1KMT2AMEN1ELANEXIAP
SCHEMBL15139234 0.89 HTR6 (0.40) XIAPBIRC3BIRC2
SCHEMBL16501392 0.89 HTR6 (0.40) XIAPBIRC3BIRC2
SCHEMBL12529610 0.88 CMA1 (0.43) CMA1KMT2AMEN1ELANECTRC
SCHEMBL12529600 0.87 CMA1 (0.42) CMA1KMT2AMEN1ELANEXIAP
SCHEMBL4245182 0.82 CMA1 (0.35) CMA1
SCHEMBL1749822 0.81 CMA1 (0.45) CMA1ELANECTRC
SCHEMBL12529525 0.80 CMA1 (0.43) CMA1KMT2AMEN1ELANEXIAP

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
EP-1851200-B1 DIMERIC IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2014-01-15 — — EP disclosed
US-20110301151-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2011-12-08 — — US disclosed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 — — 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-20070265224-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP CMA1 2903/4885KMT2A 1933/4885MEN1 900/4885
US-20110301151-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 CMA1 3492/4885KMT2A 3763/4885MEN1 1916/4885

“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.

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