SCHEMBL23961249

SCHEMBL23961249

CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.43
PDE2A O00408 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
PTGS2 P35354 8/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
DDR1 Q08345 1/20 0.36
PTGS1 P23219 2/20 0.36
ACSS2 Q9NR19 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 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
SCHEMBL17832722 0.89 CA12 (0.38) USP1NPC1RAB9APTGS2CA12
SCHEMBL17494853 0.87 DDR1 (0.38) PDE2AALOX5APFEN1DDR1CNR2
SCHEMBL30958307 0.86 CNR2 (0.34) USP1NPC1RAB9ACA12CA9
SCHEMBL30958299 0.86 DDR1 (0.37) USP1NPC1RAB9APTGS2CA12
SCHEMBL20547541 0.86 CNR2 (0.34) USP1NPC1RAB9ACA12CA9
SCHEMBL17824513 0.86 CA12 (0.36) USP1NPC1RAB9APTGS2CA12
SCHEMBL17494868 0.86 DDR1 (0.37) USP1NPC1RAB9APTGS2CA12
SCHEMBL21925099 0.86 DDR1 (0.40) DDR1CNR2KDM4EALDH1A1
SCHEMBL17422537 0.85 PTGS2 (0.40) USP1NPC1RAB9APTGS2CA12
SCHEMBL31534727 0.85 PTGS2 (0.40) USP1NPC1RAB9APTGS2CA12

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-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-28 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-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR USP1 1204/4885PDE2A 1636/4885NPC1 2755/4885

“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.