SCHEMBL21750111

SCHEMBL21750111

CCS(=O)(=O)c1cc(C(=O)Cl)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.33
DDR1 Q08345 6/20 0.33
POLB P06746 1/20 0.32
RORC P51449 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
RXRA P19793 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL31003480 0.93
SCHEMBL21750096 0.91 EGLN1 (0.37) USP1DDR1POLBRORCEGLN1
SCHEMBL21750094 0.88 POLB (0.31) USP1POLBRORCEGLN1
SCHEMBL21750122 0.87 EGLN1 (0.32) POLBEGLN1
SCHEMBL21750121 0.87 RORC (0.30) POLBRORC
SCHEMBL20567951 0.86 POLB (0.32) USP1POLBRORCLRRK2
SCHEMBL15947554 0.86 POLB (0.46) DDR1POLBRORCEGLN1
SCHEMBL21750126 0.86 DDR1 (0.35) USP1DDR1RORCEGLN1
SCHEMBL30424023 0.86 DDR1 (0.35) USP1DDR1RORCEGLN1
SCHEMBL17688763 0.84 PTGS2 (0.32) USP1DDR1POLBLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-19 US disclosed
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-19 US disclosed
US-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (IN) 2020-02-27 US disclosed
US-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (IN) 2020-02-27 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 (2 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-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR USP1 1306/4885DDR1 4585/4885POLB 4005/4885
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR USP1 1306/4885DDR1 4585/4885POLB 4005/4885

“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.