SCHEMBL12529600

SCHEMBL12529600

CC(=O)n1cc(C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 13/20 0.42
▸ ELANE P08246 1/20 0.40
▸ CFD P00746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ XIAP P98170 1/20 0.38
▸ BIRC3 Q13489 1/20 0.38
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL1749822 0.94 CMA1 (0.45) CMA1ELANECFDEPHX1
SCHEMBL12529610 0.91 CMA1 (0.43) CMA1ELANEMEN1KMT2A
SCHEMBL12021195 0.88 CFD (0.41) CFDXIAPBIRC3
SCHEMBL12303272 0.87 BIRC2 (0.41) CMA1ELANEMEN1KMT2AXIAP
SCHEMBL2579341 0.87 BIRC2 (0.41) CMA1ELANEMEN1KMT2AXIAP
SCHEMBL15424291 0.87 CMA1 (0.40) CMA1ELANEMEN1KMT2AXIAP
SCHEMBL12303273 0.87 CMA1 (0.40) CMA1ELANEMEN1KMT2AXIAP
SCHEMBL12021498 0.85 CFD (0.39) ELANECFDXIAPBIRC3
SCHEMBL14001894 0.85 CFD (0.39) ELANECFDXIAPBIRC3
SCHEMBL16509045 0.83 TP53 (0.47) —

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-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 — — US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 — — US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 — — 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-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 CMA1 1839/4885ELANE 397/4885CFD 3459/4885

“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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