SCHEMBL4586722

SCHEMBL4586722

CC(C)(C)OC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.64
CARM1 Q86X55 13/20 0.59

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
SCHEMBL22417061 0.92 CARM1 (0.59) KLKB1CARM1
SCHEMBL20579755 0.91 KLKB1 (0.53) KLKB1CARM1
SCHEMBL21919181 0.91 CARM1 (0.60) KLKB1CARM1
SCHEMBL22416926 0.90 CARM1 (0.73) KLKB1CARM1
SCHEMBL7478179 0.89 KLKB1 (0.55) KLKB1CARM1
SCHEMBL22967845 0.88 KLKB1 (0.54) KLKB1CARM1
SCHEMBL21100670 0.87 KLKB1 (0.56) KLKB1CARM1
SCHEMBL22417105 0.87 CARM1 (0.61) KLKB1CARM1
SCHEMBL5471345 0.87 CARM1 (0.63) KLKB1CARM1
SCHEMBL5476608 0.87 CARM1 (0.63) KLKB1CARM1

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375648-A Preparation method of Bei Luosi intermediate 苏州农平科技发展有限公司 2023-07-04 CN claimed
US-12590069-B2 Crystalline salts of a plasma kallikrein inhibitor BIOCRYST PHARMACEUTICALS, INC. (US) 2026-03-31 US disclosed
US-12590068-B2 Crystalline salts of a plasma kallikrein inhibitor BIOCRYST PHARMACEUTICALS, INC. (US) 2026-03-31 US disclosed
US-12552750-B2 Crystalline salts of a plasma kallikrein inhibitor BIOCRYST PHARMACEUTICALS, INC. (US) 2026-02-17 US disclosed
US-12545647-B2 Crystalline salts of a plasma kallikrein inhibitor BIOCRYST PHARMACEUTICALS, INC. (US) 2026-02-10 US disclosed
US-12545646-B2 Crystalline salts of a plasma kallikrein inhibitor BIOCRYST PHARMACEUTICALS, INC. (US) 2026-02-10 US disclosed
US-12545645-B2 Crystalline salts of a plasma kallikrein inhibitor BIOCRYST PHARMACEUTICALS, INC. (US) 2026-02-10 US disclosed
US-20250388547-A1 CRYSTALLINE SALTS OF A PLASMA KALLIKREIN INHIBITOR WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-12-25 US disclosed
US-20250388546-A1 CRYSTALLINE SALTS OF A PLASMA KALLIKREIN INHIBITOR WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-12-25 US disclosed
US-20250388549-A1 CRYSTALLINE SALTS OF A PLASMA KALLIKREIN INHIBITOR WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
US-7122557-B2 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses MERCK PATENT GMBH (DE) 2005-09-15 US disclosed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004002477-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GMBH (DE) 2004-01-08 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 (12 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-12545645-B2 Crystalline salts of a plasma kallikrein inhibitor KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3959/4885
US-12545646-B2 Crystalline salts of a plasma kallikrein inhibitor KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3801/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 KLKB1 4560/4885CARM1 1/4885
US-20250388547-A1 CRYSTALLINE SALTS OF A PLASMA KALLIKREIN INHIBITOR KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3801/4885
US-20250388549-A1 CRYSTALLINE SALTS OF A PLASMA KALLIKREIN INHIBITOR KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3688/4885
US-12590069-B2 Crystalline salts of a plasma kallikrein inhibitor KLKB1, KLK2, KLK1 KLKB1 1/4885CARM1 3401/4885
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 KLKB1 236/4885CARM1 2533/4885
US-12552750-B2 Crystalline salts of a plasma kallikrein inhibitor KLKB1, F2, KLK1 KLKB1 1/4885CARM1 3418/4885
US-12590068-B2 Crystalline salts of a plasma kallikrein inhibitor KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3688/4885
US-20250388546-A1 CRYSTALLINE SALTS OF A PLASMA KALLIKREIN INHIBITOR KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3959/4885
US-12545647-B2 Crystalline salts of a plasma kallikrein inhibitor KLKB1, KLK1, KLK2 KLKB1 1/4885CARM1 3576/4885
US-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses F11, F12, F2 KLKB1 861/4885CARM1 2953/4885

“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.