SCHEMBL3876433

SCHEMBL3876433

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
KDM1A O60341 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
PDE5A O76074 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3876428 0.84 ALDH1A1 (0.37) HTR2AHTR2CKMT2AALDH1A1HRH3
SCHEMBL221616 0.76 F10 (0.60)
SCHEMBL3871683 0.74 TP53 (0.31)
SCHEMBL3873743 0.74 ALDH1A1 (0.46) ALDH1A1TSHRHRH3GAA
SCHEMBL222387 0.73
SCHEMBL3872360 0.73 MAPK1 (0.31)
SCHEMBL3879687 0.72
SCHEMBL3874776 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL223192 0.72 HTR2A (0.34) HTR2AHTR2CHRH3
SCHEMBL3875097 0.72 OPRM1 (0.41) KMT2AALDH1A1HRH3MEN1

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 HTR2A 3483/4885HTR2C 3916/4885KDM1A 2597/4885

“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.