SCHEMBL19767676

SCHEMBL19767676

CCS(=O)(=O)c1ccc(NS(C)(=O)=O)nc1-c1nc2cc(C)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ ALK Q9UM73 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
SCHEMBL31534709 0.87 DDR1 (0.33) AOC3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL18013207 0.87 DDR1 (0.33) AOC3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL19767677 0.86 JAK1 (0.41) —
SCHEMBL19767665 0.85 JAK1 (0.33) —
SCHEMBL19767680 0.84 NPC1 (0.33) NPC1RAB9ACA12CA1CA2
SCHEMBL19767666 0.83 TSHR (0.34) SMN1; SMN2
SCHEMBL19767659 0.83 NPC1 (0.33) NPC1RAB9ACA12CA1CA2
SCHEMBL19762754 0.83 MEN1 (0.35) NPC1RAB9ALMNACA12CA1
SCHEMBL19767675 0.83 CA12 (0.34) NPC1RAB9ACA12CA1CA2
SCHEMBL19767681 0.81 NPC1 (0.32) NPC1RAB9ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 — — 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-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4B1, CYP1B1, CYP8B1 AOC3 128/4885BTK 3546/4885NPC1 2598/4885

“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