SCHEMBL890792

SCHEMBL890792

Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
CA9 Q16790 8/20 0.52
CA12 O43570 6/20 0.52
CA6 P23280 4/20 0.52
CA14 Q9ULX7 3/20 0.52
CA4 P22748 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX5AP P20292 4/20 0.50
FEN1 P39748 4/20 0.50
F10 P00742 1/20 0.48
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
CA13 Q8N1Q1 1/20 0.45

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
SCHEMBL30940556 1.00 CA1 (0.52) CA1CA2CA9CA12CA6
SCHEMBL8661306 0.92 CA1 (0.48) CA1CA2CA9CA12CA6
SCHEMBL8350056 0.92 CA1 (0.54) CA1CA2CA9CA12CA6
SCHEMBL1271134 0.86 GAA (0.50) CA1CA2CA9CA12CA14
SCHEMBL48885 0.85 CA2 (0.52) CA1CA2CA9CA12CA6
SCHEMBL27954274 0.84 CA2 (0.65) CA1CA2CA9CA12CA6
Methane SCHEMBL27503773 0.83 CA2 (0.50) CA1CA2CA9CA12CA6
Hydrochloric Acid SCHEMBL6399557 0.83 CA2 (0.50) CA1CA2CA9CA12CA6
SCHEMBL27842438 0.83 CA1 (0.54) CA1CA2CA9CA12CA6
SCHEMBL8552729 0.82 CA2 (0.53) CA1CA2CA9CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US claimed
EP-1994385-B1 CHANGED CONDITION INDICATOR COOPERMAN ISADORE (US) 2019-08-14 EP disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-6376515-B2 DERIVATIVES OF A 2-((4-AMIDINYLPHENYL)-CARBONYLAMINO-1,2-PHENYLENE)-CARBONYLAMINO-) PYRIDINE; POTENT AND HIGHLY SELECTIVE ANTICOAGULANTS; BIOAVAILABILITY AND/OR SOLUBILITY; PREVENTION AND TREATMENT OF THROMBOSIS AND COAGULATION COR THERAPEUTICS, INC. 2002-04-23 US disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 WO disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO disclosed
US-6114512-A REACTING A TETRAZOTIZED DIAMINE COMPOUND WITH A COUPLING COMPOUND CONTAINING AMINONAPHTHOL-MONO OR DI-SULFONIC ACID COMPOUND TO FORM TETRAAZO DYE BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 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 (6 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 CA1 1649/4885CA2 2434/4885CA9 1661/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CA1 891/4885CA2 1290/4885CA9 1279/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CA1 891/4885CA2 1290/4885CA9 1279/4885
US-20030135055-A1 Aminosulfonylbiphenyl derivatives APOB, F12, SERPINB1 CA1 3884/4885CA2 3516/4885CA9 4234/4885
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT CA1 1261/4885CA2 1971/4885CA9 3053/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 CA1 891/4885CA2 1290/4885CA9 1279/4885

“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.