SCHEMBL13550922

SCHEMBL13550922

NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 1.00
PRSS1 P07477 10/20 1.00
F2 P00734 10/20 1.00
PRSS2 P07478 9/20 1.00
PRSS3 P35030 9/20 1.00
PROC P04070 3/20 0.87
F9 P00740 2/20 0.87
KLK1 P06870 1/20 0.87
KLKB1 P03952 7/20 0.86
CFH P08603 1/20 0.86
CARM1 Q86X55 3/20 0.73

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
SCHEMBL7749603 0.94 PRSS1 (0.88) F10PRSS1F2PRSS2PRSS3
SCHEMBL29825652 0.93 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL3052253 0.93 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL31067656 0.93 F10 (1.00) F10PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL29377504 0.92 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL7742478 0.92 F10 (0.89) F10PRSS1F2PRSS2PRSS3
SCHEMBL7746996 0.89 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL14318599 0.86 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL3832849 0.86 F2 (0.79) F10PRSS1F2PRSS2PRSS3
SCHEMBL19706432 0.84 F10 (0.83) F10PRSS1F2PRSS2PRSS3

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
US-20100009939-A1 CONCURRENT DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-20100009939-A1 CONCURRENT DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-20070105825-A1 Concurrent drugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105825-A1 Concurrent drugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US 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 (2 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-20100009939-A1 CONCURRENT DRUGS CYP3A5, HPSE, SLC9A5 F10 64/4885PRSS1 347/4885F2 26/4885
US-20070105825-A1 Concurrent drugs CYP3A5, HPSE, SLC9A5 F10 64/4885PRSS1 347/4885F2 26/4885

“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.