SCHEMBL1148011

SCHEMBL1148011

CCCC=C[C@@](C)(NNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ EPHX2 P34913 1/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ MDM4 O15151 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ FABP5 Q01469 3/20 0.39
▸ FABP7 O15540 2/20 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
SCHEMBL1147880 1.00 KMT2A (0.48) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1147745 0.94 KMT2A (0.47) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1148069 0.94 KMT2A (0.47) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1147542 0.92 KMT2A (0.45) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL22558273 0.89 KMT2A (0.45) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL22558284 0.89 KMT2A (0.45) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1148000 0.87 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1147971 0.87 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1147743 0.84 KMT2A (0.47) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1148068 0.84 KMT2A (0.47) KMT2AEPHX2CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305400-A1 STABILIZED COMPOUNDS HAVING SECONDARY STRUCTURE MOTIFS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-10-25 — — US disclosed
US-9951099-B2 Stabilized compounds having secondary structure motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-24 — — US disclosed
US-20170088581-A1 STABILIZED COMPOUNDS HAVING SECONDARY STRUCTURE MOTIFS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-30 — — US disclosed
US-9505801-B2 Stabilized compounds having secondary structure motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-29 — — US disclosed
US-8895699-B2 Stabilized compounds having secondary structure motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-11-25 — — US disclosed
US-20140162339-A1 Stabilized Compounds Having Secondary Structure Motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 — — US disclosed
US-20130211046-A1 Stabilized Compounds Having Secondary Structure Motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-15 — — US disclosed
US-8324428-B2 Stabilized compounds having secondary structure motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-04 — — US disclosed
US-20110028753-A1 Stabilized Compounds Having Secondary Structure Motifs PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-02-03 — — US disclosed
US-7786072-B2 synthesizing a peptide from a selected number of natural or non-natural amino acids; stabilized p53 donor helical peptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-08-31 — — US disclosed
US-7192713-B1 synthesizing a peptide from a selected number of natural or non-natural amino acids; stabilized p53 donor helical peptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-20 — — US disclosed
US-20060008848-A1 synthesizing a peptide from a selected number of natural or non-natural amino acids; stabilized p53 donor helical peptides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-12 — — 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-20110028753-A1 Stabilized Compounds Having Secondary Structure Motifs TP53, MDM2, TP53BP1 KMT2A 2534/4885EPHX2 3187/4885CASP3 1435/4885

“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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