SCHEMBL20547522

SCHEMBL20547522

CCOC(=O)C(C)(C)Oc1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.35
▸ PPARA Q07869 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ FBP1 P09467 2/20 0.30
▸ TP53 P04637 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ BCL2A1 Q16548 2/20 0.30
▸ NPSR1 Q6W5P4 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ TLR9 Q9NR96 2/20 0.30
▸ CNR2 P34972 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
SCHEMBL22189639 0.91 PTGDR2 (0.37) PPARAPPARGCNR2
SCHEMBL22189381 0.91 CNR2 (0.31) CNR2
SCHEMBL22189285 0.90 CNR2 (0.31) CNR2
SCHEMBL22189297 0.89 RORC (0.31) CNR2
SCHEMBL22189530 0.89 RORC (0.32) CNR2BRD4
SCHEMBL22201191 0.89 CNR2 (0.31) CNR2
SCHEMBL22189259 0.88 CNR2 (0.35) CNR2
SCHEMBL20547555 0.88 CNR2 (0.33) CNR2
SCHEMBL22189295 0.88 CNR2 (0.33) CNR2
SCHEMBL22201181 0.88 CA2 (0.34) POLBTP53HPGDMAPK1KMT2A

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 4 patents. 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
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — US disclosed
EP-3615531-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2020-03-04 — — EP disclosed
WO-2018197315-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-11-01 — — 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 (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 GRM2 619/4885PPARA 2491/4885ABCB11 2116/4885

“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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