SCHEMBL7087364

SCHEMBL7087364

CCc1c(C(=O)O)n(Cc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(O)c(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.52
CCR2 P41597 7/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.39
FAAH O00519 1/20 0.39
P2RX7 Q99572 2/20 0.37
KCNN4 O15554 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7086771 0.88 ABCB11 (0.48) ABCB11CCR2PTGDR2TP53
SCHEMBL7082844 0.76 ABCB11 (0.69) ABCB11CCR2
SCHEMBL6595115 0.75 ABCB11 (0.55) ABCB11CCR2
SCHEMBL7084277 0.73 ABCB11 (0.63) ABCB11CCR2FAAH
SCHEMBL6780182 0.73 ABCB11 (0.66) ABCB11CCR2
SCHEMBL7083775 0.72 ABCB11 (0.78) ABCB11CCR2
SCHEMBL7087363 0.72 ABCB11 (0.52) ABCB11CCR2TP53
SCHEMBL7087122 0.71 ABCB11 (0.78) ABCB11CCR2
SCHEMBL7082978 0.71 AR (0.41) ABCB11CCR2P2RX7
SCHEMBL6785303 0.69 ABCB11 (0.61) ABCB11CCR2

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 3 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 disclosed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 ABCB11 391/4885CCR2 1/4885PTGDR2 455/4885

“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.