SCHEMBL6166341

SCHEMBL6166341

CCOC(=O)ON=C1CC=C(c2ncccc2C(=O)Nc2ccc(-c3ccccc3C#N)cc2)C(C)=C1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
F10 P00742 4/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
HDAC1 Q13547 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6161703 0.87 TRPV1 (0.41) TRPV1F10F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7106445 0.83 F10 (0.42) TRPV1F10F2PRSS1PRSS2
SCHEMBL6166344 0.78 F10 (0.41) TRPV1F10F2PRSS1PRSS2
SCHEMBL6163134 0.77 F10 (0.38) TRPV1F10MAPTKDM4EALDH1A1
SCHEMBL6164425 0.74 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164925 0.74 F10 (0.46) TRPV1F10F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7107547 0.73 F10 (0.37) F10F2PRSS1PRSS2PRSS3
SCHEMBL6162562 0.73 F10 (0.45) TRPV1F10F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7106428 0.71 F10 (0.37) TRPV1F10F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7101266 0.70 F10 (0.51) F10F2PRSS1PRSS2PRSS3

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 TRPV1 3359/4885F10 11/4885F2 1/4885

“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.