SCHEMBL6162872

SCHEMBL6162872

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.42
SCN3A Q9NY46 1/20 0.39
DEGS1 O15121 1/20 0.39
NAMPT P43490 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6165201 1.00 F10 (0.42) F10SCN3ADEGS1NAMPTCYP3A4
SCHEMBL6164345 0.89 F10 (0.49) F10
SCHEMBL6166356 0.89 F10 (0.49) F10
Trifluoroacetic Acid SCHEMBL6165072 0.85 HDAC3 (0.42) F10DEGS1NAMPT
SCHEMBL6165196 0.83 F10 (0.51) F10
SCHEMBL6162857 0.83 F10 (0.51) F10
SCHEMBL6163523 0.83 F10 (0.44) F10SCN3ADEGS1NAMPTCYP3A4
Trifluoroacetic Acid SCHEMBL6168316 0.80 NAMPT (0.38) F10SCN3ADEGS1NAMPTCYP3A4
SCHEMBL6166613 0.78 DEGS1 (0.43) SCN3ADEGS1NAMPTCYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL6165364 0.78 SCN3A (0.40) F10SCN3ADEGS1NAMPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US claimed
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 539/4885DEGS1 2512/4885

“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.