SCHEMBL20042475

SCHEMBL20042475

CCS(=O)(=O)c1ccc(NC(=O)NCC[S+](C)[O-])nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ TRPV1 Q8NER1 3/20 0.31

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
SCHEMBL20042473 0.90 PIK3CA (0.40) MAPK1DDR1PIK3CAMAPK8MAPK9
SCHEMBL20042460 0.89 CYP1A2 (0.34) RORCCYP1A2CYP2C19RAB9AMAPK1
SCHEMBL20042476 0.88 MAPK1 (0.40) CYP1A2CYP2C19RAB9AMAPK1DDR1
SCHEMBL20042456 0.88 CYP1A2 (0.33) RORCCYP1A2CYP2C19RAB9AMAPK1
SCHEMBL20042474 0.88 CYP1A2 (0.33) RORCCYP1A2CYP2C19RAB9AMAPK1
SCHEMBL20042377 0.87 RORC (0.34) RORCMAPK1DDR1PIK3CAMAPK8
SCHEMBL30051769 0.87 RORC (0.34) RORCMAPK1DDR1PIK3CAMAPK8
SCHEMBL17967731 0.85 JAK1 (0.38) RORCDDR1PIK3CA
SCHEMBL31534713 0.85 JAK1 (0.38) RORCDDR1PIK3CA
SCHEMBL20042457 0.85 MAPK1 (0.35) RORCMAPK1DDR1

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
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-05-24 — — US disclosed
EP-3523299-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2021-04-14 — — EP disclosed
US-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
WO-2018065292-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-12 — — 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-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES EPHX2, CYP8B1, CYP1B1 RORC 2454/4885CYP1A2 5/4885CYP2C19 126/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 RORC 2454/4885CYP1A2 5/4885CYP2C19 126/4885

“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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