SCHEMBL4586217

SCHEMBL4586217

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 16/20 1.00
CARM1 Q86X55 3/20 0.58
F2 P00734 1/20 0.56
F10 P00742 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56

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
SCHEMBL17064574 0.90 KLKB1 (0.82) KLKB1CARM1F2F10PRSS1
SCHEMBL23428814 0.89 KLKB1 (0.80) KLKB1CARM1F2F10PRSS1
SCHEMBL5478307 0.84 KLKB1 (0.72) KLKB1CARM1F2F10PRSS1
SCHEMBL950904 0.82 GRN (0.72) KLKB1CARM1
SCHEMBL5698183 0.82 KLKB1 (0.84) KLKB1CARM1F2F10PRSS1
SCHEMBL5698214 0.82 KLKB1 (0.69) KLKB1CARM1
SCHEMBL5584120 0.82 KLKB1 (0.69) KLKB1
SCHEMBL23119465 0.82 KLKB1 (0.69) KLKB1CARM1
SCHEMBL18604685 0.81 KLKB1 (0.87) KLKB1CARM1
SCHEMBL31067520 0.81 KLKB1 (0.87) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
US-20080026447-A1 Assay for determining factor viia inhibitor concentration in plasma samples BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
EP-4180424-A1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2023-05-17 EP disclosed
EP-1679073-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(IMINO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GmbH (DE) 2006-07-12 EP disclosed
WO-2006069155-A2 INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-29 WO 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
EP-1517685-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) 2005-03-30 EP 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 (7 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-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885CARM1 4548/4885F2 29/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885CARM1 4404/4885F2 24/4885
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 KLKB1 236/4885CARM1 2533/4885F2 15/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885CARM1 4548/4885F2 29/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885CARM1 4304/4885F2 33/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885CARM1 4548/4885F2 29/4885
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 2953/4885F2 3/4885

“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.