SCHEMBL740896

SCHEMBL740896

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.63
CTSS P25774 4/20 0.60
PPARG P37231 2/20 0.58
ATM Q13315 1/20 0.54
SYK P43405 1/20 0.54
KLK5 Q9Y337 3/20 0.50
KLK7 P49862 2/20 0.50
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
RAB9A P51151 1/20 0.46
APP P05067 1/20 0.45
ACE P12821 1/20 0.45
REN P00797 1/20 0.44

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
SCHEMBL740897 1.00 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL14265324 1.00 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL18407225 0.92 PPARA (0.69) PPARACTSSPPARGATMSYK
SCHEMBL9990178 0.90 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL9989456 0.90 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL9989452 0.90 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL25467757 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL212797 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL212796 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL1132570 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed
EP-1963319-B1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-04-11 EP disclosed
EP-2430025-A1 SITAGLIPTIN SYNTHESIS Generics [UK] Limited (GB) 2012-03-21 EP disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
WO-2010131025-A1 SITAGLIPTIN SYNTHESIS GENERICS [UK] LIMITED (GB) 2010-11-18 WO disclosed
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
EP-1963319-A1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-09-03 EP disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
WO-2007071621-A1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-28 WO disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 EP disclosed
EP-1581480-B1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASE-V INHIBITORS PFIZER LTD (GB) 2006-08-23 EP disclosed
US-7045653-B2 cyclopentyl substituted glutaramide derivatives; inhibitors of neutral endopeptidase which may be used to treat cardiovascular disorders, especially hypertension PFIZER, INC. (US) 2006-05-16 US disclosed
EP-1581480-A1 CYCLOPENTIL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASEV INHIBITORS Pfizer Limited (GB) 2005-10-05 EP disclosed
US-20050075392-A1 Novel pharmaceuticals DACK KEVIN NEIL (GB) 2005-04-07 US disclosed
WO-2004056750-A1 CYCLOPENTIL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 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 (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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT PPARA 2299/4885CTSS 2807/4885PPARG 2831/4885
US-20050075392-A1 Novel pharmaceuticals MME, ECE1, ECE2 PPARA 3506/4885CTSS 113/4885PPARG 3845/4885
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 PPARA 3222/4885CTSS 2183/4885PPARG 2466/4885

“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.