SCHEMBL6163780

SCHEMBL6163780

CC1=C(N)C(=NO)CC=C1c1ncccc1C(=O)Nc1ccc(-c2cc(C)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
PRSS1 P07477 5/20 0.46
PRSS2 P07478 5/20 0.46
PRSS3 P35030 5/20 0.46
F2 P00734 4/20 0.46
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL7107087 0.95 F10 (0.51) F10PRSS1PRSS2PRSS3F2
SCHEMBL6164425 0.91 F10 (0.54) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7108370 0.87 F10 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL6164359 0.86 F2 (0.39) F10PRSS1PRSS2PRSS3F2
SCHEMBL6164925 0.85 F10 (0.46) F10PRSS1PRSS2PRSS3F2
SCHEMBL6162562 0.84 F10 (0.45) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7101673 0.83 F10 (0.44) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7101266 0.81 F10 (0.51) F10PRSS1PRSS2PRSS3F2
SCHEMBL6161703 0.80 TRPV1 (0.41) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7102295 0.80 F10 (0.49) F10PRSS1PRSS2PRSS3F2

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 11/4885PRSS1 43/4885PRSS2 95/4885

“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.