SCHEMBL18819819

SCHEMBL18819819

CC[S+]([O-])c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL18795110 0.86 CYP1A2 (0.39) —
SCHEMBL18819418 0.84 CETP (0.41) —
SCHEMBL15412002 0.83 S1PR1 (0.35) S1PR1CNR2
SCHEMBL18819410 0.79 TLR8 (0.33) S1PR1CNR1CNR2
SCHEMBL18819780 0.78 CNR1 (0.38) S1PR1CNR1CNR2
SCHEMBL1147635 0.77 S1PR1 (0.31) S1PR1
SCHEMBL23934187 0.77 DYRK1A (0.34) S1PR1CNR1CNR2
SCHEMBL18819821 0.77 — —
SCHEMBL18819834 0.74 UTRN (0.36) —
SCHEMBL18819829 0.71 CNR2 (0.40) CNR1CNR2

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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE S1PR1 3120/4885CNR1 415/4885CNR2 485/4885

“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.

Send feedback