SCHEMBL22189563

SCHEMBL22189563

CCSc1cc(OC(C)(C)C(=O)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 10/20 0.38
▸ PPARA Q07869 9/20 0.36
▸ PPARG P37231 6/20 0.32
▸ POLB P06746 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL22189336 0.92 POLB (0.32) PPARDPOLBEGLN1
SCHEMBL20547598 0.89 — —
SCHEMBL22189639 0.85 PTGDR2 (0.37) PPARDPPARAPPARGMGLLEGLN1
SCHEMBL20547507 0.85 — —
SCHEMBL22189631 0.85 — —
SCHEMBL30122178 0.85 — —
SCHEMBL22189260 0.84 — —
SCHEMBL22189520 0.83 — —
SCHEMBL16347583 0.83 — —
SCHEMBL22189633 0.82 — —

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 2 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

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 PPARD 1449/4885PPARA 2491/4885PPARG 2156/4885

“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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