SCHEMBL18013099

SCHEMBL18013099

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ CNR2 P34972 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ USP1 O94782 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
SCHEMBL31534706 1.00 RORC (0.33) RORCDDR1CNR2S1PR1KCNH2
SCHEMBL18013098 0.90 DDR1 (0.39) RORCDDR1
SCHEMBL31534708 0.90 DDR1 (0.39) RORCDDR1
SCHEMBL31534712 0.87 DHODH (0.35) RORCDDR1CNR2KCNH2
SCHEMBL17967743 0.87 DHODH (0.35) RORCDDR1CNR2KCNH2
SCHEMBL17967742 0.86 DDR1 (0.35) RORCDDR1CNR2LRRK2
SCHEMBL31534710 0.86 DDR1 (0.35) RORCDDR1CNR2LRRK2
SCHEMBL31561431 0.84 S1PR1 (0.35) RORCDDR1CNR2S1PR1KCNH2
SCHEMBL31534724 0.84 DDR1 (0.33) RORCDDR1CNR2S1PR1KCNH2
SCHEMBL18013206 0.84 DDR1 (0.33) RORCDDR1CNR2S1PR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428759-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2020-11-27 — — CN disclosed
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 RORC 2921/4885DDR1 3091/4885CNR2 196/4885
US-10654845-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides CYP4B1, CYP1B1, CYP8B1 RORC 2931/4885DDR1 3241/4885CNR2 232/4885

“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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