SCHEMBL17529570

SCHEMBL17529570

CCS(=O)(=O)c1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ S1PR1 P21453 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ PRKCE Q02156 2/20 0.31
▸ ELANE P08246 3/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL30402935 0.92 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL30122069 0.92 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL21586223 0.92 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL30122353 0.92 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL20393749 0.88 CYP1A2 (0.39) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL17529566 0.87 S1PR1 (0.32) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122232 0.83 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586227 0.83 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL22189620 0.83 S1PR1 (0.32) S1PR1ELANECNR2
SCHEMBL24695965 0.83 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
EP-3183245-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-26 — — EP disclosed
US-10081641-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-09-25 — — US disclosed
US-20170260214-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US disclosed
US-20170260214-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US disclosed
US-20170260214-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US disclosed
WO-2016026848-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-25 — — 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 (2 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-10081641-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 CYP1A2 66/4885S1PR1 2522/4885ALDH1A1 395/4885
US-20170260214-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 CYP1A2 66/4885S1PR1 2522/4885ALDH1A1 395/4885

“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.

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