SCHEMBL20104444

SCHEMBL20104444

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIA4 P48058 1/20 0.35
RORC P51449 1/20 0.35
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL29657530 1.00 HSD17B10 (0.38) HSD17B10CFTRPOLBDHODHKDM4E
SCHEMBL29657416 0.85 GRIA4 (0.42) HSD17B10POLBDHODHKDM4EGAA
SCHEMBL20104394 0.85 GRIA4 (0.42) HSD17B10POLBDHODHKDM4EGAA
SCHEMBL24313993 0.84 GRIA4 (0.36) DHODHGAACYP2C9L3MBTL1GRIA4
SCHEMBL1547280 0.78 TDP1 (0.53) CFTRPOLBDHODHKDM4EGAA
SCHEMBL29657413 0.78 L3MBTL1 (0.35) HSD17B10POLBKDM4EMAPTGAA
SCHEMBL20104512 0.78 L3MBTL1 (0.35) HSD17B10POLBKDM4EMAPTGAA
SCHEMBL29657373 0.76 ALDH1A1 (0.41) HSD17B10POLBKDM4EMAPTGAA
SCHEMBL20104424 0.76 ALDH1A1 (0.41) HSD17B10POLBKDM4EMAPTGAA
SCHEMBL2003727 0.75 ALDH1A1 (0.48) HSD17B10POLBDHODHKDM4EMAPT

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 11 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
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
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
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 (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 HSD17B10 830/4885CFTR 3402/4885POLB 4023/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT HSD17B10 927/4885CFTR 2985/4885POLB 4021/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT HSD17B10 927/4885CFTR 2985/4885POLB 4021/4885

“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.