SCHEMBL17614596

SCHEMBL17614596

Cc1ccc(-c2cc(OCc3c(C)cccc3-n3nnn(C)c3=O)ccc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.37
PTGS2 P35354 2/20 0.36
FFAR1 O14842 1/20 0.35
GYS1 P13807 2/20 0.35
ANO1 Q5XXA6 2/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PPARG P37231 2/20 0.33
MCL1 Q07820 1/20 0.33
TGFBR1 P36897 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL17614582 0.92 GYS1 (0.34) PTGS2FFAR1GYS1PPARG
SCHEMBL16206012 0.91 FFAR1 (0.37) FFAR1ANO1PPARG
SCHEMBL17614599 0.90 GYS1 (0.40) FFAR4FFAR1GYS1ANO1GABRG2
SCHEMBL17614598 0.90 ANO1 (0.40) FFAR4FFAR1GYS1ANO1GABRG2
SCHEMBL16206014 0.89 FFAR1 (0.42) FFAR1GYS1ANO1
SCHEMBL17614597 0.89 GYS1 (0.37) FFAR4FFAR1GYS1ANO1GABRG2
SCHEMBL16206009 0.89 FFAR1 (0.37) FFAR4FFAR1GYS1ANO1
SCHEMBL17614595 0.87 FFAR1 (0.34) FFAR1GYS1ANO1
SCHEMBL17614550 0.86 SLC22A12 (0.39) FFAR1GRIN1GRIN2BPPARGGABRG2
SCHEMBL16206015 0.86 FFAR1 (0.41) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 FFAR4 2754/4885PTGS2 2986/4885FFAR1 1688/4885

“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.