SCHEMBL6238878

SCHEMBL6238878

CC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.57
F2 P00734 5/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
F9 P00740 1/20 0.49
PROC P04070 1/20 0.49
KLK1 P06870 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
SCHEMBL6565553 0.86 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL6838928 0.85 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL6839520 0.85 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL3833828 0.85 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830430 0.84 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL4681061 0.81 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL4680762 0.80 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL24720330 0.79 MAPT (0.50) F10F2PRSS1CA1CA2
SCHEMBL30124424 0.79 MAPT (0.50) F10F2PRSS1CA1CA2
SCHEMBL6838432 0.79 F10 (0.48) 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
EP-1539686-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP claimed
WO-2004024679-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2004-03-25 WO claimed
EP-1539686-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US disclosed
WO-2004024679-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2004-03-25 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 F10 13/4885F2 4/4885PRSS1 15/4885

“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.