SCHEMBL6172831

SCHEMBL6172831

COc1ccc(N(CC(=O)O)C(=O)C2CCSCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ HTT P42858 1/20 0.41
▸ PTGIR P43119 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PTGDR Q13258 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ BCL2A1 Q16548 2/20 0.38
▸ RNF4 P78317 1/20 0.38

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
SCHEMBL6174617 0.86 HTT (0.46) KEAP1NFE2L2HTTPTGIRTSHR
SCHEMBL6171439 0.85 ALDH1A1 (0.50) KEAP1NFE2L2HTTPTGIRTSHR
SCHEMBL6170917 0.84 KEAP1 (0.43) KEAP1NFE2L2HTTPTGIRTSHR
SCHEMBL6176749 0.84 CHRM5 (0.51) KEAP1NFE2L2PTGIROPRM1ACHE
SCHEMBL6172035 0.82 KEAP1 (0.45) KEAP1NFE2L2HTTPTGIRTSHR
SCHEMBL6175650 0.77 STS (0.54) HTT
SCHEMBL7106756 0.74 KEAP1 (0.55) KEAP1NFE2L2TSHRACHERNF4
SCHEMBL4598838 0.74 GPR88 (0.48) HTTOPRM1HSP90AA1GPR88BCL2A1
SCHEMBL18930910 0.74 RNF4 (0.60) HTTOPRM1ACHECHRM2CHRM1
SCHEMBL11156756 0.73 KEAP1 (0.54) KEAP1NFE2L2TSHRCA1CA2

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-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP disclosed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 — — US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — EP 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-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 KEAP1 4651/4885NFE2L2 2014/4885HTT 4634/4885

“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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