SCHEMBL29787145

SCHEMBL29787145

CCS(=O)(=O)c1cc(CC#N)cnc1-n1cc2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.33
S1PR1 P21453 2/20 0.33
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL20819268 1.00 USP1 (0.33) USP1S1PR1EGLN1
SCHEMBL20819264 0.85 S1PR1 (0.33) S1PR1EGLN1
SCHEMBL29787140 0.85 S1PR1 (0.33) S1PR1EGLN1
SCHEMBL17504810 0.84 DDR1 (0.36) USP1EGLN1
SCHEMBL17504809 0.83 DDR1 (0.34) USP1EGLN1
SCHEMBL29787144 0.83 DDR1 (0.34) USP1EGLN1
SCHEMBL25669933 0.82 S1PR1 (0.31) S1PR1
SCHEMBL21761834 0.81 EGLN1 (0.32) USP1EGLN1
SCHEMBL21750107 0.80 EGLN1 (0.42) USP1EGLN1
SCHEMBL21761679 0.80 EGLN1 (0.33) USP1S1PR1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111108107-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-09-29 CN disclosed
US-11413291-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-08-16 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-11413291-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR USP1 1238/4885S1PR1 2950/4885EGLN1 3167/4885

“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.