SCHEMBL31207155

SCHEMBL31207155

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2ccc(C(F)(F)F)cn12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.36
RORC P51449 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
S1PR1 P21453 1/20 0.33
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL21805957 1.00 TRPA1 (0.36) TRPA1RORCKDM4EALDH1A1RXFP1
SCHEMBL29359764 0.88 S1PR1 (0.33) TRPA1RORCS1PR1KCNH2PTGS2
SCHEMBL19712047 0.88 S1PR1 (0.33) TRPA1RORCS1PR1KCNH2PTGS2
SCHEMBL18136196 0.87 HSD17B10 (0.34) KCNH2
SCHEMBL20393746 0.84 PTGDR2 (0.38) RORCS1PR1PTGS2PTGS1
SCHEMBL19711929 0.84 TRPA1 (0.36) TRPA1RORCKDM4EALDH1A1RXFP1
SCHEMBL20393874 0.83 LMNA (0.35) RORCS1PR1KCNH2
SCHEMBL21550152 0.83 POLB (0.43) TRPA1KDM4EALDH1A1RXFP1S1PR1
SCHEMBL21715691 0.82 CA1 (0.39) RORCKDM4EALDH1A1KCNH2PTGS2
SCHEMBL19150258 0.81 NPC1 (0.31) RORCKCNH2

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-12144349-B2 Pesticidal mixtures comprising a mesoionic compound BASF SE (DE) 2024-11-19 US claimed

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-12144349-B2 Pesticidal mixtures comprising a mesoionic compound ACHE, DDT, MTX2 TRPA1 79/4885RORC 3657/4885KDM4E 4556/4885

“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.