SCHEMBL5698206

SCHEMBL5698206

Cc1cc(C(=O)O)n(-c2cccc(C(N)=O)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.56
F2 P00734 4/20 0.56
PRSS1 P07477 4/20 0.56
PRSS2 P07478 4/20 0.56
PRSS3 P35030 4/20 0.56
KLKB1 P03952 1/20 0.55
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
PARP1 P09874 2/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.47
F9 P00740 1/20 0.47
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
MDM2 Q00987 1/20 0.46

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
SCHEMBL18623228 0.91 KLKB1 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL6420468 0.84 ALDH1A1 (0.58) ALDH1A1TSHRGAAKMT2AGRN
SCHEMBL1259093 0.83 ALDH1A1 (0.66) ALDH1A1TSHRGAAKMT2AGRN
SCHEMBL25883561 0.82 TSHR (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL11778309 0.82 ALDH1A1 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL6413900 0.81 KMT2A (0.54) KLKB1ALDH1A1TSHRGAAKMT2A
SCHEMBL20028012 0.81 KMT2A (0.53) ALDH1A1TSHRGAAKMT2AGRN
SCHEMBL17064841 0.81 KLKB1 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL5698207 0.81 ALDH1A1 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL3074249 0.80 TSHR (0.58) ALDH1A1HPGDTSHRGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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-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 F10 9/4885F2 3/4885PRSS1 254/4885

“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.