SCHEMBL4593790

SCHEMBL4593790

CC(C)N1CCC(NS(=O)(=O)C(CO)C(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 6/20 0.34
CYP2D6 P10635 2/20 0.34
PARP1 P09874 2/20 0.33
ACKR3 P25106 2/20 0.33
MAPT P10636 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ROCK2 O75116 1/20 0.31
SMYD3 Q9H7B4 2/20 0.31
NAMPT P43490 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL3872615 0.89 F10 (0.38) F10ALDH1A1HRH3CYP2D6PARP1
SCHEMBL3885057 0.88 F10 (0.39) F10ALDH1A1HRH3CYP2D6PARP1
SCHEMBL3874989 0.85 F10 (0.38) F10ALDH1A1HRH3CYP2D6PARP1
SCHEMBL3872934 0.83 F10 (0.36) F10ALDH1A1HRH3CYP2D6PARP1
SCHEMBL3878945 0.83 F10 (0.39) F10ALDH1A1HRH3PARP1MAPT
SCHEMBL3874183 0.82 F10 (0.40) F10ALDH1A1HRH3CYP2D6PARP1
SCHEMBL3878915 0.80 F10 (0.35) F10ALDH1A1HRH3CYP2D6
SCHEMBL3878877 0.80 HRH3 (0.37) F10ALDH1A1HRH3
SCHEMBL4593792 0.79 F10 (0.38) F10ALDH1A1HRH3CYP2D6ACKR3
SCHEMBL3885060 0.76 F10 (0.38) F10ALDH1A1HRH3CYP2D6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F10 14/4885ALDH1A1 724/4885HRH3 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.