SCHEMBL16385404

SCHEMBL16385404

COc1ccc(-c2nccc(C)n2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
CTSK P43235 3/20 0.48
ABCB1 P08183 3/20 0.48
ABCG2 Q9UNQ0 3/20 0.48
ABCC1 P33527 1/20 0.48
S1PR1 P21453 6/20 0.46
AAK1 Q2M2I8 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
S1PR5 Q9H228 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GRM2 Q14416 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL15345125 0.84 S1PR1 (0.48) S1PR1TP53MAPTKDM4ES1PR3
SCHEMBL8365586 0.82 S1PR1 (0.60) CTSSCTSKS1PR1AAK1GRM2
SCHEMBL16385161 0.81 PDGFRB (0.52) S1PR1LMNAMAPTKDM4ES1PR3
SCHEMBL16385242 0.80 S1PR1 (0.45) S1PR1
SCHEMBL2666240 0.80 NOTUM (0.50) CTSSCTSKS1PR1GRM2
SCHEMBL16385227 0.76 CTSS (0.51) CTSSCTSKABCB1ABCG2ABCC1
SCHEMBL22130305 0.75 ALDH1A1 (0.56) S1PR1MAPTKDM4ES1PR3
SCHEMBL20449875 0.74 DYRK1A (0.58) CTSSCTSKS1PR1AAK1S1PR3
SCHEMBL23864913 0.73 S1PR1 (0.50) CTSSCTSKABCB1ABCG2ABCC1
SCHEMBL5679981 0.73 CYP1A1 (0.46) LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
EP-3020715-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-05-18 EP disclosed
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 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-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 CTSS 1451/4885CTSK 893/4885ABCB1 2896/4885

“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.