SCHEMBL6165044

SCHEMBL6165044

CC(C)(C)NS(=O)(=O)c1ccc(F)cc1-c1ccc(NC(=O)c2cccnc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
LRRK2 Q5S007 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
CTPS1 P17812 1/20 0.38
KIF18A Q8NI77 2/20 0.38
MAPK14 Q16539 1/20 0.38
PPARG P37231 1/20 0.38
PRKAA2 P54646 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6166683 0.91 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164549 0.90 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL7389491 0.82 F10 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL6165046 0.81 ALOX5AP (0.42) ALOX5APFEN1
SCHEMBL6166616 0.79 F10 (0.52) F10PRSS1PRSS2PRSS3ALOX5AP
SCHEMBL6166654 0.74 USP30 (0.54)
SCHEMBL6166689 0.72 CSNK1E (0.41) F10LRRK2ALOX5APFEN1CTPS1
Trifluoroacetic Acid SCHEMBL6166052 0.72 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL6163562 0.72 USP30 (0.55)
SCHEMBL6165511 0.72 F10 (0.46) F10PRSS1PRSS2PRSS3ALOX5AP

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 11/4885F2 1/4885PRSS1 43/4885

“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.