SCHEMBL6584626

SCHEMBL6584626

CCC(=O)Oc1cccc(C=C[N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 8/20 0.64
▸ TLR2 O60603 8/20 0.64
▸ FBP1 P09467 6/20 0.63
▸ VCP P55072 1/20 0.62
▸ EGFR P00533 2/20 0.59
▸ ERBB2 P04626 2/20 0.59
▸ MAOA P21397 4/20 0.58
▸ MAOB P27338 4/20 0.58
▸ TERT O14746 1/20 0.53

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
SCHEMBL3235501 0.85 FBP1 (0.68) TLR4TLR2FBP1VCPEGFR
SCHEMBL3235505 0.85 FBP1 (0.68) TLR4TLR2FBP1VCPEGFR
SCHEMBL6041116 0.83 EGFR (0.69) TLR4TLR2FBP1VCPEGFR
SCHEMBL31287227 0.78 FBP1 (1.00) TLR4TLR2FBP1VCPMAOA
SCHEMBL8765211 0.78 FBP1 (1.00) TLR4TLR2FBP1VCPMAOA
SCHEMBL278627 0.78 FBP1 (1.00) TLR4TLR2FBP1VCPMAOA
SCHEMBL1244858 0.78 ACHE (0.58) MAOAMAOB
SCHEMBL792987 0.78 FBP1 (1.00) TLR4TLR2FBP1VCPMAOA
SCHEMBL510207 0.78 TLR4 (1.00) TLR4TLR2FBP1MAOAMAOB
SCHEMBL28432983 0.78 ACHE (0.51) TLR4TLR2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 — — EP disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 — — EP disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 — — US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 — — US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 — — 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 (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-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL TLR4 3117/4885TLR2 3148/4885FBP1 1379/4885

“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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