SCHEMBL18050222

SCHEMBL18050222

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.34
▸ RORC P51449 8/20 0.33
▸ DDR1 Q08345 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACP1 P24666 1/20 0.32
▸ AGPAT2 O15120 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 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
SCHEMBL19283559 0.92 KCNH2 (0.37) S1PR1RORCKCNH2
SCHEMBL19299911 0.92 KCNH2 (0.33) S1PR1RORCDDR1KCNH2
SCHEMBL19299912 0.91 KCNH2 (0.35) RORCDDR1KCNH2
SCHEMBL19299797 0.90 MAPT (0.36) RORCDDR1KCNH2ALDH1A1GAA
SCHEMBL19299809 0.89 RORC (0.34) RORCKCNH2ALDH1A1HPGD
SCHEMBL18050298 0.89 AGPAT2 (0.39) S1PR1RORCDDR1ACP1AGPAT2
SCHEMBL19299910 0.86 KCNH2 (0.33) S1PR1RORCDDR1KCNH2
SCHEMBL20547209 0.84 KCNH2 (0.32) RORCKCNH2
SCHEMBL18072963 0.83 ALDH1A1 (0.32) S1PR1DDR1AGPAT2ALDH1A1GAA
SCHEMBL18072962 0.83 POLB (0.41) S1PR1DDR1ACP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-12-03 — — US disclosed
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-12-03 — — US disclosed
EP-3268361-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
US-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 — — US disclosed
US-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 — — US disclosed
US-10131662-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-11-20 — — US disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — US disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — US disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — US disclosed
EP-3268361-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-01-17 — — EP disclosed
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 — — WO disclosed
WO-2016142327-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — WO disclosed
WO-2016142327-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — 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 (4 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-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE S1PR1 2204/4885RORC 1422/4885DDR1 4577/4885
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE S1PR1 2204/4885RORC 1422/4885DDR1 4577/4885
US-10131662-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE S1PR1 2414/4885RORC 1249/4885DDR1 4590/4885
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE S1PR1 2414/4885RORC 1249/4885DDR1 4590/4885

“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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