SCHEMBL20104431

SCHEMBL20104431

CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.34
PTGS2 P35354 2/20 0.33
TRPV1 Q8NER1 4/20 0.31
COMT P21964 1/20 0.31
CNR2 P34972 1/20 0.30
POLB P06746 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
SCHEMBL21578031 0.89 DDR1 (0.37) DDR1PTGS2TRPV1COMTCNR2
SCHEMBL20104523 0.86 DDR1 (0.36) DDR1PTGS2
SCHEMBL20104440 0.85 DDR1 (0.30) DDR1
SCHEMBL20104518 0.85 DDR1 (0.33) DDR1POLB
SCHEMBL31248458 0.85 DDR1 (0.30) DDR1
SCHEMBL20104475 0.85 DDR1 (0.33) DDR1
SCHEMBL21577860 0.84 DDR1 (0.33) DDR1
SCHEMBL20104481 0.84 LRRK2 (0.31) DDR1
SCHEMBL20104517 0.84
SCHEMBL20104457 0.83 TRPV1 (0.31) DDR1TRPV1

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
CN-114456164-A Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2022-05-10 CN 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 (3 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 4387/4885PTGS2 799/4885TRPV1 955/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT DDR1 4413/4885PTGS2 640/4885TRPV1 744/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT DDR1 4413/4885PTGS2 640/4885TRPV1 744/4885

“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.