SCHEMBL20936300

SCHEMBL20936300

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 3/20 0.34
▸ AR P10275 1/20 0.34
▸ RORC P51449 6/20 0.33
▸ ENPP1 P22413 4/20 0.33
▸ ACSS2 Q9NR19 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ DGAT1 O75907 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL22683344 0.88 ENPP1 (0.33) AGPAT2ARENPP1POLBIRAK4
SCHEMBL30958260 0.88 ENPP1 (0.33) AGPAT2ARENPP1POLBIRAK4
SCHEMBL20609952 0.85 RORC (0.37) AGPAT2ARRORCACSS2STING1
SCHEMBL29814228 0.85 RORC (0.37) AGPAT2ARRORCACSS2STING1
SCHEMBL22683321 0.85 GNRHR (0.41) POLBMAPK14
SCHEMBL30958249 0.85 GNRHR (0.41) POLBMAPK14
SCHEMBL30958308 0.84 — —
SCHEMBL22683353 0.84 — —
SCHEMBL20633511 0.83 RORC (0.35) AGPAT2ARRORCACSS2STING1
SCHEMBL22683324 0.83 QRFPR (0.32) POLB

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-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 — — US disclosed
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 — — US disclosed
EP-3740485-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-11-25 — — EP disclosed
WO-2019076778-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR AND SULFONIMIDAMIDES CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-25 — — 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 (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-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 AGPAT2 154/4885AR 2791/4885RORC 2731/4885

“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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