SCHEMBL17810048

SCHEMBL17810048

CCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.54
MME P08473 1/20 0.49
MAOB P27338 2/20 0.46
S1PR1 P21453 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KCNH2 Q12809 3/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
DHODH Q02127 1/20 0.43
CHRM5 P08912 2/20 0.43
SERPINE1 P05121 1/20 0.43
SLC6A7 Q99884 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PRMT1 Q99873 1/20 0.42

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
SCHEMBL18015806 0.88 CTSS (0.47) SLC13A5S1PR1CTSSCTSKFFAR1
SCHEMBL27900220 0.85 SLC13A5 (0.53) SLC13A5MMEMAOBFFAR1FFAR4
SCHEMBL3168185 0.83 CYP17A1 (0.44) SLC13A5CHRM5
SCHEMBL13099463 0.83 BCL2 (0.51) SLC13A5SERPINE1
SCHEMBL1044062 0.83 CYP1A2 (0.51) SLC13A5MMES1PR1FFAR1FFAR4
SCHEMBL27900209 0.83 SLC13A5 (0.57) SLC13A5MMEMAOBCTSSCTSK
SCHEMBL9425434 0.82 TSHR (0.53) SERPINE1
SCHEMBL2056279 0.82 TSHR (0.53) SERPINE1
SCHEMBL5840598 0.82 SLC13A5 (0.51) SLC13A5MMEFFAR1FFAR4KCNH2
SCHEMBL30996181 0.81 ABL1 (0.61) SLC13A5MAOBKCNH2SCN10A

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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 SLC13A5 3848/4885MME 1806/4885MAOB 2853/4885

“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.