SCHEMBL7083775

SCHEMBL7083775

COc1c(C(=O)O)n(Cc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(O)cc12

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.78
CCR2 P41597 10/20 0.59
MAPT P10636 5/20 0.42
PKM P14618 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7592778 0.89 ABCB11 (0.61) ABCB11CCR2MAPTPKMGAA
SCHEMBL6599243 0.88 ABCB11 (1.00) ABCB11CCR2MAPTPKMGAA
SCHEMBL7084277 0.85 ABCB11 (0.63) ABCB11CCR2
SCHEMBL7086963 0.77 ABCB11 (0.55) ABCB11CCR2MAPTPKMGAA
SCHEMBL21465476 0.76 ABCB11 (0.68) ABCB11CCR2MAPTPKMALDH1A1
SCHEMBL6599266 0.76 ABCB11 (0.77) ABCB11CCR2MAPTPKMGAA
SCHEMBL7083553 0.76 ABCB11 (0.51) ABCB11CCR2MAPTPKMGAA
SCHEMBL7082850 0.75 ABCB11 (1.00) ABCB11CCR2
SCHEMBL7086771 0.74 ABCB11 (0.48) ABCB11CCR2MAPTLMNAMEN1
SCHEMBL7089675 0.73 ABCB11 (0.48) ABCB11CCR2MAPTPKMGAA

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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US claimed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP claimed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO claimed
US-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 ABCB11 391/4885CCR2 1/4885MAPT 3505/4885

“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.