SCHEMBL7606077

SCHEMBL7606077

COC(=O)c1cc(C#N)c(SC)s1.COC(=O)c1cc(C(=O)O)c(SC)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 1/20 0.39
USP7 Q93009 1/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
GRIA4 P48058 2/20 0.34
GRIA2 P42262 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
STING1 Q86WV6 1/20 0.33
HPGD P15428 4/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33

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
SCHEMBL6928589 0.91 KEAP1 (0.53) KEAP1NFE2L2KDM4EUSP7GAA
SCHEMBL6925163 0.88 KEAP1 (0.47) KEAP1NFE2L2KDM4EHSD17B10GAA
SCHEMBL741497 0.83 KEAP1 (0.71) KEAP1NFE2L2KDM4EHSD17B10USP7
SCHEMBL741136 0.77 KEAP1 (0.47) KEAP1NFE2L2KDM4EHSD17B10USP7
SCHEMBL742310 0.76 L3MBTL1 (0.50) KEAP1NFE2L2KDM4EHSD17B10USP7
SCHEMBL28608716 0.75 KEAP1 (0.43) KEAP1NFE2L2KDM4EHSD17B10USP7
SCHEMBL9864443 0.74 USP7 (0.57) KEAP1NFE2L2KDM4EHSD17B10USP7
SCHEMBL6921023 0.72 CSNK2A2 (0.38) KEAP1NFE2L2KDM4EGAAALDH1A1
SCHEMBL3610681 0.72 KDM4E (0.42) KEAP1NFE2L2KDM4EHSD17B10GAA
SCHEMBL6925132 0.71 KEAP1 (0.37) KEAP1NFE2L2KDM4EGAAALDH1A1

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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 KEAP1 1151/4885NFE2L2 2121/4885KDM4E 4740/4885

“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.