SCHEMBL3763441

SCHEMBL3763441

CCCCC=CCOc1cccc(CN)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
PTGS2 P35354 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
BID P55957 3/20 0.35
BCL2L1 Q07817 3/20 0.35
MCL1 Q07820 3/20 0.35
BAK1 Q16611 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
MMP2 P08253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL3771175 0.96 CYSLTR2 (0.42) CYSLTR2CYSLTR1PTGS2CTSSCTSK
SCHEMBL3769104 0.92 CTSS (0.39) CYSLTR2CYSLTR1CTSSCTSKCTSL
SCHEMBL3764583 0.89 CYP1A2 (0.40) PTGS2BIDBCL2L1MCL1BAK1
SCHEMBL3768083 0.85 TAAR1 (0.38) CTSSCTSKCTSLTAAR1RPS6KA1
SCHEMBL3766396 0.84 L3MBTL1 (0.39) PTGS2CYP1A2CYP2C9CYP2C19RPS6KA1
SCHEMBL3771934 0.82 L3MBTL1 (0.39) PTGS2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3764641 0.81 TAAR1 (0.39) CTSSCTSKCTSLTAAR1RPS6KA1
SCHEMBL3770876 0.81 L3MBTL1 (0.38) CYP1A2CYP2C9CYP2C19RPS6KA1MAPT
SCHEMBL3766158 0.80 CYP1A2 (0.35) TAAR1CYP1A2CYP2C9CYP2C19RPS6KA1
SCHEMBL3659528 0.80 CYSLTR2 (0.37) CYSLTR2CYSLTR1PTGS2CTSSCTSK

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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 CYSLTR2 2358/4885CYSLTR1 2654/4885PTGS2 3626/4885

“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.