SCHEMBL20104394

SCHEMBL20104394

CCSc1cc(C(C)(C)C#N)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.42
TDP1 Q9NUW8 1/20 0.35
RORC P51449 1/20 0.34
PTPRC P08575 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
PTPRG P23470 1/20 0.33
CYP1A2 P05177 1/20 0.33
DHODH Q02127 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
RXRB P28702 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIN2C Q14957 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL29657416 1.00 GRIA4 (0.42) GRIA4TDP1RORCPTPRCSCN10A
SCHEMBL24313993 0.88 GRIA4 (0.36) GRIA4RORCSCN10ADHODHL3MBTL1
SCHEMBL20104444 0.85 HSD17B10 (0.38) GRIA4TDP1RORCCYP1A2DHODH
SCHEMBL29657530 0.85 HSD17B10 (0.38) GRIA4TDP1RORCCYP1A2DHODH
SCHEMBL16666658 0.80 ALDH1A1 (0.53) CYP1A2RXRBKDM4EALDH1A1HPGD
SCHEMBL25586864 0.78 GRIA4 (0.33) GRIA4RORCSCN10A
SCHEMBL23811197 0.76 SCN10A (0.36) GRIA4RORCSCN10A
SCHEMBL29657418 0.76 GRIA4 (0.36) GRIA4ALDH1A1GAA
SCHEMBL20104426 0.76 GRIA4 (0.36) GRIA4ALDH1A1GAA
SCHEMBL20152377 0.72 CSNK2A1 (0.47) PTPRCPTPRGCYP1A2POLBKDM4E

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-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 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-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
CN-109890818-A PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS 先正达参股股份有限公司 2019-06-14 CN 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 GRIA4 1268/4885TDP1 960/4885RORC 3051/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT GRIA4 1276/4885TDP1 1033/4885RORC 2968/4885
US-12152024-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, SHMT1, ACHE GRIA4 1268/4885TDP1 960/4885RORC 3051/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT GRIA4 1276/4885TDP1 1033/4885RORC 2968/4885

“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.