SCHEMBL3732932

SCHEMBL3732932

CC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.41
▸ REN P00797 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PEPD P12955 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ CMA1 P23946 1/20 0.39
▸ XIAP P98170 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
SCHEMBL160773 1.00 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL160774 1.00 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL13872458 0.91 PEPD (0.40) PEPDELANEXIAPBIRC3BIRC2
SCHEMBL20152066 0.89 ELANE (0.43) ELANECMA1XIAPBIRC3BIRC2
SCHEMBL14392336 0.87 ELANE (0.34) ELANEXIAPBIRC3BIRC2STAT6
SCHEMBL28619551 0.86 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL28680937 0.86 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL20681620 0.86 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL10166855 0.86 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL15369021 0.84 STAT6 (0.36) ELANEXIAPBIRC3BIRC2STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 — — EP disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 — — US disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 — — US disclosed
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 — — US disclosed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 — — EP disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 — — EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 — — WO 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 (4 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP ACE 64/4885REN 2394/4885KDM4E 1517/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS ACE 3012/4885REN 2229/4885KDM4E 4215/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP ACE 64/4885REN 2394/4885KDM4E 1517/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX ACE 720/4885REN 873/4885KDM4E 3987/4885

“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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