SCHEMBL3876428

SCHEMBL3876428

CC(C)N1CCC(N(CS(=O)(=O)c2ccccc2)S(=O)(=O)CC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
F10 P00742 1/20 0.35
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
OPRM1 P35372 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL3876433 0.84 HTR2A (0.36) ALDH1A1KCNH2HRH3MEN1LMNA
SCHEMBL3872358 0.79 MAPK1 (0.32) KCNH2HRH3MEN1LMNAGAA
SCHEMBL3871680 0.78 TP53 (0.33) ALDH1A1
SCHEMBL3873738 0.75 ALDH1A1 (0.44) ALDH1A1LMNAGAAKMT2A
SCHEMBL3877037 0.75
SCHEMBL3875455 0.75 CYP2D6 (0.30) KCNH2HRH3
SCHEMBL3879684 0.75 TP53 (0.31) ALDH1A1
SCHEMBL221616 0.74 F10 (0.60) F10
SCHEMBL3883829 0.74 PARP1 (0.31) ALDH1A1PARP1PARP2OPRM1
SCHEMBL3873129 0.74 TP53 (0.31) KCNH2HRH3

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-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 ALDH1A1 724/4885KCNH2 2762/4885HRH3 2835/4885

“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.