SCHEMBL20104457

SCHEMBL20104457

CCSc1cccnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
DDR1 Q08345 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21571471 0.85 POLB (0.37) DDR1
SCHEMBL21571469 0.85 MEN1 (0.30) DDR1HTT
SCHEMBL20104488 0.84 DDR1 (0.31) DDR1
SCHEMBL20104431 0.83 DDR1 (0.34) TRPV1DDR1
SCHEMBL20104432 0.83 TRPV1 (0.31) TRPV1
SCHEMBL23811206 0.81
SCHEMBL31248468 0.80 POLB (0.32)
SCHEMBL23811190 0.80 DDR1 (0.30) DDR1
SCHEMBL20104462 0.79
SCHEMBL23971569 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456164-B Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2024-03-12 CN disclosed
CN-109890818-B Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2022-11-25 CN disclosed
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
WO-2021254360-A1 CARBOHYDRATE MOLECULAR CLUSTER AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海拓界生物医药科技有限公司 2021-12-23 WO 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-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 TRPV1 955/4885ALOX15 1765/4885ALDH1A1 235/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT TRPV1 744/4885ALOX15 1690/4885ALDH1A1 343/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT TRPV1 744/4885ALOX15 1690/4885ALDH1A1 343/4885

“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.