SCHEMBL22201085

SCHEMBL22201085

CC[S+]([O-])c1cc(OC(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ PDE2A O00408 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
SCHEMBL31476283 0.87 — —
SCHEMBL30951761 0.87 — —
SCHEMBL31476247 0.87 — —
SCHEMBL22201180 0.86 MAPT (0.33) PPARGPPARDPPARA
SCHEMBL22201077 0.86 PPARD (0.33) PPARGPPARDPPARA
SCHEMBL20547579 0.83 CNR2 (0.34) S1PR1
SCHEMBL21925088 0.82 NPC1 (0.33) —
SCHEMBL22201108 0.82 PDE2A (0.32) PDE2A
SCHEMBL21925082 0.82 KDM4E (0.35) PDE2A
SCHEMBL31476309 0.81 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — US 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 (1 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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR PPARG 2156/4885PPARD 1449/4885PPARA 2491/4885

“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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