SCHEMBL16206015

SCHEMBL16206015

COc1cccc(-c2cc(OCc3c(C)cccc3-n3nnn(C)c3=O)ccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.41
DHODH Q02127 3/20 0.39
PPARD Q03181 2/20 0.39
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
TNIK Q9UKE5 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
GNRHR P30968 1/20 0.35

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
SCHEMBL16206014 0.93 FFAR1 (0.42) FFAR1PPARDSTIM1ORAI1
SCHEMBL17615395 0.92 FFAR1 (0.41) FFAR1DHODHPPARDSLC22A12SLC16A3
SCHEMBL17614595 0.91 FFAR1 (0.34) FFAR1PPARDSLC22A12
SCHEMBL16206009 0.91 FFAR1 (0.37) FFAR1PPARDSTIM1ORAI1SLC22A12
SCHEMBL17615190 0.90 HDAC4 (0.43) FFAR1PPARDSLC22A12SLC16A3SLC16A1
SCHEMBL16206146 0.90 SLC22A12 (0.42) FFAR1PPARDSLC22A12SLC16A3SLC16A1
SCHEMBL17614598 0.88 ANO1 (0.40) FFAR1STIM1ORAI1
SCHEMBL17614599 0.88 GYS1 (0.40) FFAR1STIM1ORAI1
SCHEMBL17614597 0.87 GYS1 (0.37) FFAR1
SCHEMBL16206012 0.87 FFAR1 (0.37) FFAR1STIM1ORAI1

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
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
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
WO-2014175465-A1 TETRAZOLINONE COMPOUND AND USE OF SAME 住友化学株式会社 (JP) 2014-10-30 WO 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 FFAR1 1688/4885DHODH 2715/4885PPARD 2520/4885

“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.