SCHEMBL20997960

SCHEMBL20997960

CCS(=O)(=O)c1ccc(C#Cc2cccc(F)c2)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 0.37
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL17949367 0.87 GRM5 (0.37) GRM5
SCHEMBL17949521 0.79 S1PR1 (0.33) GRM5DDR1
SCHEMBL31141510 0.78 CYP11B1 (0.35) DDR1PTGS2
SCHEMBL18506217 0.78 CYP11B1 (0.35) DDR1PTGS2
SCHEMBL21930786 0.78 DDR1 (0.32) DDR1
SCHEMBL24067290 0.77 DDR1 (0.31) DDR1
SCHEMBL26502596 0.77 DDR1 (0.30) DDR1
SCHEMBL20997940 0.76 PTGS2 (0.31) DDR1PTGS2
SCHEMBL24067267 0.76 NR1H2 (0.31) —
SCHEMBL18819695 0.76 NR1H2 (0.38) PTGS2

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-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 — — 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-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR GRM5 1500/4885CA12 4168/4885CA1 1258/4885

“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.

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