SCHEMBL18013207

SCHEMBL18013207

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 2/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ S1PR1 P21453 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ AOC3 Q16853 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ LRRK2 Q5S007 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 1.00 DDR1 (0.33) DDR1CNR2S1PR1KCNH2RORC
SCHEMBL31561431 0.90 S1PR1 (0.35) DDR1CNR2S1PR1KCNH2RORC
SCHEMBL19767676 0.87 AOC3 (0.33) AOC3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL31534713 0.87 JAK1 (0.38) DDR1RORC
SCHEMBL17967731 0.87 JAK1 (0.38) DDR1RORC
SCHEMBL31534724 0.86 DDR1 (0.33) DDR1CNR2S1PR1KCNH2RORC
SCHEMBL18013206 0.86 DDR1 (0.33) DDR1CNR2S1PR1KCNH2RORC
SCHEMBL21715831 0.86 DDR1 (0.35) DDR1RORCTGFBR1
SCHEMBL20042377 0.85 RORC (0.34) DDR1RORC
SCHEMBL30051769 0.85 RORC (0.34) DDR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654845-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-19 — — US disclosed
US-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 — — US disclosed
WO-2016124557-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-11 — — 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 (2 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 DDR1 3091/4885CNR2 196/4885S1PR1 2474/4885
US-10654845-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides CYP4B1, CYP1B1, CYP8B1 DDR1 3241/4885CNR2 232/4885S1PR1 2522/4885

“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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