SCHEMBL20104523

SCHEMBL20104523

CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.36
USP1 O94782 1/20 0.33
PDE2A O00408 1/20 0.32
PTGS2 P35354 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD11B1 P28845 3/20 0.31
F10 P00742 1/20 0.30
NR1I2 O75469 1/20 0.30
SDHB P21912 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL20104431 0.86 DDR1 (0.34) DDR1PTGS2
SCHEMBL31248460 0.85 XPO1 (0.32)
SCHEMBL23005340 0.85 XPO1 (0.32)
SCHEMBL23005344 0.84 DDR1 (0.32) DDR1
SCHEMBL31248463 0.84 DDR1 (0.32) DDR1
SCHEMBL31248466 0.84 DDR1 (0.33) DDR1
SCHEMBL20104477 0.84 DDR1 (0.33) DDR1
SCHEMBL20104440 0.82 DDR1 (0.30) DDR1
SCHEMBL20104475 0.82 DDR1 (0.33) DDR1
SCHEMBL31248458 0.82 DDR1 (0.30) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152024-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents SYNGENTA CROP PROTECTION AG (CH) 2024-11-26 US disclosed
EP-3532471-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-09-15 EP disclosed
EP-3532471-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-09-15 EP disclosed
US-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-12 US disclosed
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-12 US disclosed
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-21 US disclosed
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-21 US disclosed
WO-2018077565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 WO 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 (4 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-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, SHMT1, ACHE DDR1 4387/4885USP1 1298/4885PDE2A 939/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT DDR1 4413/4885USP1 1528/4885PDE2A 699/4885
US-12152024-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, SHMT1, ACHE DDR1 4387/4885USP1 1298/4885PDE2A 939/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT DDR1 4413/4885USP1 1528/4885PDE2A 699/4885

“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.