SCHEMBL6167709

SCHEMBL6167709

Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(C#N)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.40
USP30 Q70CQ3 1/20 0.40
DGAT2 Q96PD7 2/20 0.39
LPAR2 Q9HBW0 1/20 0.38
DEGS1 O15121 1/20 0.37
NAMPT P43490 6/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6162195 1.00 SCN3A (0.40) SCN3AUSP30DGAT2LPAR2DEGS1
SCHEMBL6163283 0.91 SCN3A (0.44) SCN3AUSP30DGAT2DEGS1NAMPT
SCHEMBL6162229 0.91 SCN3A (0.44) SCN3AUSP30DGAT2DEGS1NAMPT
SCHEMBL6166089 0.80 F10 (0.45) SCN3ADGAT2DEGS1NAMPTCYP3A4
SCHEMBL6982721 0.79 F10 (0.46) USP30CYP3A4F10ALDH1A1
SCHEMBL6165552 0.78 F10 (0.52) F10
SCHEMBL6166874 0.78 F10 (0.52) F10
SCHEMBL6167083 0.76 DEGS1 (0.48) SCN3ADGAT2LPAR2DEGS1NAMPT
SCHEMBL6162237 0.76 MAPK14 (0.34) USP30F10
SCHEMBL6166683 0.74 F10 (0.46) F10NPC1

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 SCN3A 539/4885USP30 4394/4885DGAT2 4012/4885

“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.