SCHEMBL6162409

SCHEMBL6162409

N=C(N)c1cccc(C[C@H](NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.61
PRSS1 P07477 11/20 0.54
PLG P00747 3/20 0.54
KLK1 P06870 2/20 0.54
PROC P04070 1/20 0.54
PRSS2 P07478 7/20 0.52
PRSS3 P35030 7/20 0.52
F2 P00734 7/20 0.51
PLAT P00750 2/20 0.49
F7 P08709 1/20 0.49

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 SCHEMBL6166133 0.90 F10 (0.64) F10PRSS1PLGPRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6167612 0.88 F10 (0.63) F10PRSS1PLGPRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162403 0.88 F10 (0.68) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6165833 0.83 F10 (0.58) F10PRSS1PLGPRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165345 0.81 F10 (0.54) F10PRSS1PLGPRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165774 0.77 F10 (0.74) F10PRSS1PLGPROCPRSS2
Trifluoroacetic Acid SCHEMBL6179765 0.76 F10 (0.52) F10PRSS1PLGPRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166128 0.76 F10 (0.49) F10PRSS1PLGPRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166135 0.76 F10 (0.49) F10PRSS1PLGPRSS2PRSS3
SCHEMBL7093728 0.75 F10 (0.58) F10PRSS1PLGKLK1PROC

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 11/4885PRSS1 43/4885PLG 18/4885

“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.