SCHEMBL9831744

SCHEMBL9831744

CSc1ccccc1-c1nc(-c2ccccc2C(F)(F)F)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.49
P2RX7 Q99572 1/20 0.42
TRPA1 O75762 1/20 0.40
STK10 O94804 1/20 0.39
SLK Q9H2G2 1/20 0.39

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
SCHEMBL9830541 0.87 HSD11B1 (0.58) HSD11B1TRPA1
SCHEMBL9830814 0.83 HSD11B1 (0.54) HSD11B1TRPA1
SCHEMBL9832170 0.83 HSD11B1 (0.54) HSD11B1TRPA1
SCHEMBL9829855 0.82 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL9829823 0.81 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9832353 0.81 HSD11B1 (0.51) HSD11B1TRPA1
SCHEMBL9705543 0.81 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9831027 0.81 HSD11B1 (0.50) HSD11B1TRPA1
SCHEMBL9830599 0.80 HSD11B1 (0.50) HSD11B1TRPA1
SCHEMBL9829686 0.80 HSD11B1 (0.50) HSD11B1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180213779-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-02 US claimed
EP-3353160-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-08-01 EP claimed
WO-2017050751-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-03-30 WO claimed
EP-3353160-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-03-04 EP disclosed
US-20180213779-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-02 US disclosed
EP-3353160-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-08-01 EP disclosed
WO-2017050751-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-03-30 WO disclosed
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 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-20180213779-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 HSD11B1 359/4885P2RX7 1527/4885TRPA1 39/4885

“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.