SCHEMBL6166089

SCHEMBL6166089

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
SCN3A Q9NY46 1/20 0.45
NAMPT P43490 6/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
DEGS1 O15121 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
DGAT2 Q96PD7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6166874 0.91 F10 (0.52) F10
SCHEMBL6165552 0.91 F10 (0.52) F10
SCHEMBL6163283 0.89 SCN3A (0.44) F10SCN3ANAMPTCYP3A4CYP2C9
SCHEMBL6162229 0.89 SCN3A (0.44) F10SCN3ANAMPTCYP3A4CYP2C9
SCHEMBL6167083 0.85 DEGS1 (0.48) SCN3ANAMPTDEGS1HRH3DGAT2
SCHEMBL6163514 0.82 F10 (0.54) F10
SCHEMBL6163523 0.81 F10 (0.44) F10SCN3ANAMPTCYP3A4CYP2C9
SCHEMBL6162195 0.80 SCN3A (0.40) F10SCN3ANAMPTCYP3A4CYP2C9
SCHEMBL6167709 0.80 SCN3A (0.40) F10SCN3ANAMPTCYP3A4CYP2C9
SCHEMBL6982721 0.79 F10 (0.46) F10CYP3A4ALDH1A1HPGD

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI F10 11/4885SCN3A 539/4885NAMPT 348/4885

“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.