SCHEMBL13209783

SCHEMBL13209783

O=C(NC(CF)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ CASP3 P42574 2/20 0.55
▸ MDM2 Q00987 6/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ SLC17A5 Q9NRA2 1/20 0.50

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
SCHEMBL30191464 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21978278 0.91 MDM4 (0.59) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21978277 0.91 MDM4 (0.59) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8895610 0.89 MDM4 (0.62) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29907974 0.88 MDM4 (0.61) MDM4TP53CASP3MDM2KMT2A
SCHEMBL30977677 0.88 MDM4 (0.61) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29352409 0.88 MDM4 (0.61) MDM4TP53CASP3MDM2KMT2A
SCHEMBL1486216 0.88 MDM4 (0.61) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29366757 0.88 MDM4 (0.61) MDM4TP53CASP3MDM2KMT2A
SCHEMBL118370 0.88 MDM4 (0.61) MDM4TP53CASP3MDM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 — — US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 — — US disclosed
EP-1836201-B2 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2013-09-04 — — EP disclosed
EP-1836201-B1 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2010-08-11 — — EP disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 — — US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 — — US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 — — US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 — — 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 (3 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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 MDM4 804/4885TP53 27/4885CASP3 718/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 MDM4 804/4885TP53 27/4885CASP3 718/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 MDM4 804/4885TP53 27/4885CASP3 718/4885

“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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