SCHEMBL22201108

SCHEMBL22201108

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ QRFPR Q96P65 1/20 0.30
▸ AGPAT2 O15120 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
SCHEMBL21925088 0.88 NPC1 (0.33) MAPT
SCHEMBL21925082 0.88 KDM4E (0.35) PDE2AKDM4ECYP2C9AGPAT2
SCHEMBL22201081 0.85 — —
SCHEMBL22201180 0.85 MAPT (0.33) MAPT
SCHEMBL20632928 0.82 KDM4E (0.31) KDM4EMAPT
SCHEMBL22201085 0.82 PPARG (0.31) PDE2A
SCHEMBL22201077 0.81 PPARD (0.33) KDM4ECYP2C9
SCHEMBL17529564 0.81 CYP1A2 (0.35) —
SCHEMBL31476269 0.81 CYP1A2 (0.35) —
SCHEMBL31476295 0.81 CYP1A2 (0.35) —

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 PDE2A 837/4885PDE10A 883/4885KDM4E 3597/4885

“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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