SCHEMBL7425896

SCHEMBL7425896

CC=CCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.68
ACE P12821 1/20 0.46
CTSS P25774 6/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARD Q03181 2/20 0.42
CAPN1 P07384 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL7424969 1.00 CTSK (0.68) CTSKACECTSSCA1CA2
SCHEMBL7426593 1.00 CTSK (0.68) CTSKACECTSSCA1CA2
SCHEMBL1433273 1.00 CTSK (0.68) CTSKACECTSSCA1CA2
SCHEMBL17870451 0.92 CTSK (0.55) CTSKACECTSSCA1CA2
SCHEMBL14242024 0.92 CTSK (0.55) CTSKACECTSSCA1CA2
SCHEMBL17870454 0.92 CTSK (0.55) CTSKACECTSSCA1CA2
SCHEMBL5967025 0.89 CTSK (0.58) CTSKACECTSSCA1CA2
SCHEMBL19003825 0.86 CTSK (0.50) CTSKACECTSSCA1CA2
SCHEMBL22412573 0.86 CTSK (0.50) CTSKACECTSSCA1CA2
SCHEMBL22412574 0.86 CTSK (0.50) CTSKACECTSSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882734-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2015-06-17 EP disclosed
EP-2880026-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2015-06-10 EP disclosed
US-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS UNIV MONASH (AU) 2015-05-28 US disclosed
US-8901115-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-12 US disclosed
EP-2739625-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 EP disclosed
WO-2014022767-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2014022766-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2013022814-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 WO disclosed
US-5665598-A Synthesis of chiral N-protected-α-substituted-glycine free acids by zinc-mediated addition of organic halide to glycine cation equivalent G. D. SEARLE & CO. (US) 1997-09-09 US disclosed
US-5508466-A REACTING MIXTURE OF N-PROTECTED-ALPHA-SUBSTITUTED-GLYCINE CATION DERIVATIVE AND ELEMENTAL ZINC WITH ORGANIC HALIDE IN POLAR SOLVENT G.D. SEARLE & CO. (US) 1996-04-16 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 (2 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-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS DAO, BCAT2, BCAT1 CTSK 3424/4885ACE 591/4885CTSS 2960/4885
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 CTSK 263/4885ACE 1138/4885CTSS 623/4885

“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.