SCHEMBL220233

SCHEMBL220233

O=C(N[C@@H](COCc1ccccc1)CS(=O)(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CTSK P43235 3/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
SYK P43405 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.45
MMP13 P45452 3/20 0.45
CASP1 P29466 1/20 0.45
TACR1 P25103 2/20 0.43

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
SCHEMBL220234 1.00 CTRB1 (0.54) CTRB1CA12CA1CA2CA9
SCHEMBL223417 0.88 CTRB1 (0.53) CTRB1CA12CA1CA2CA9
SCHEMBL10187034 0.83 CTRB1 (0.59) CTRB1CA12CA1CA2CA9
SCHEMBL187104 0.82 CTRB1 (0.58) CTRB1CTSKCTSLCTSSSYK
SCHEMBL28989585 0.82 CTRB1 (0.52) CTRB1CA12CA1CA2CA9
SCHEMBL22783671 0.80 PPARA (0.53) CTRB1CA12CA1CA2CA9
SCHEMBL5562553 0.79 CTRB1 (0.52) CTRB1CA12CA1CA2CA9
SCHEMBL26459466 0.77 ALDH1A1 (0.57) CTSKCTSLCTSSMMP13CASP1
SCHEMBL31047722 0.77 KYNU (0.59) CA1CA2CTSKCTSLCTSS
SCHEMBL12220545 0.77 SYK (0.69) CTRB1CTSKCTSLCTSSSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
EP-1888567-B1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
US-20080167346-A1 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
EP-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 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-20080167346-A1 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents TFPI, SERPINC1, PLAT CTRB1 90/4885CA12 2169/4885CA1 1897/4885

“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.