SCHEMBL20113065

SCHEMBL20113065

CCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.46
HSD17B1 P14061 1/20 0.41
MKNK1 Q9BUB5 4/20 0.41
MKNK2 Q9HBH9 4/20 0.41
PARP1 P09874 2/20 0.40
PDE4B Q07343 2/20 0.40
SGK1 O00141 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
PIK3CB P42338 1/20 0.36
MAP4K4 O95819 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL16634973 0.89 PARP1 (0.40) GPR52MKNK1MKNK2PARP1PDE4B
Hydrochloric Acid SCHEMBL16635723 0.88 PARP1 (0.39) GPR52MKNK1MKNK2PARP1PDE4B
SCHEMBL16636223 0.81 CSF1R (0.44) MKNK2MAP4K4JAK2JAK1TYK2
SCHEMBL16634986 0.81 GRM2 (0.41) GPR52TRPA1
SCHEMBL20822485 0.77 PARP1 (0.42) GPR52PARP1
SCHEMBL28074535 0.75 PIK3CA (0.42) MKNK1MKNK2PARP1PIK3CBMAP4K4
SCHEMBL16635428 0.74 SPHK1 (0.43) TRPA1
SCHEMBL4437714 0.74 CHUK (0.59) HSD17B1MKNK1MKNK2MAP4K4CASP1
SCHEMBL20822486 0.74 SYK (0.42) PARP1
SCHEMBL16635000 0.73 TRPA1 (0.56) TRPA1

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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 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 (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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 GPR52 192/4885HSD17B1 4081/4885MKNK1 2956/4885

“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.