SCHEMBL3808729

SCHEMBL3808729

COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2CCN(C#N)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSC P53634 2/20 0.49
CTSB P07858 1/20 0.49
CHRM5 P08912 1/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
KMT2A Q03164 2/20 0.38
USP30 Q70CQ3 4/20 0.38
UCHL1 P09936 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3811475 0.93 CTSL (0.55) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3816137 0.92 CTSL (0.40) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3808488 0.92 CTSL (0.40) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3808677 0.90 CTSL (0.50) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3808181 0.88 CTSL (0.52) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810713 0.88 CTSL (0.52) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811083 0.87 CTSL (0.56) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3815954 0.87 CTSL (0.47) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3816124 0.87 CTSL (0.47) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811496 0.84 CTSL (0.54) CTSLCTSSCTSKCTSCCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264498-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US claimed

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-20090264498-A1 Cathepsin C Inhibitors CTSF, CTSZ, CTSG CTSL 9/4885CTSS 5/4885CTSK 10/4885

“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.