SCHEMBL7083189

SCHEMBL7083189

Cc1c(C(=O)O)n(Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(OCc3ccccc3)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.43
EDNRA P25101 4/20 0.43
PTGER1 P34995 5/20 0.42
ALOX5AP P20292 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
S1PR5 Q9H228 2/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
S1PR1 P21453 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL6595450 0.84 CCR2 (0.50) EDNRBEDNRAS1PR5MRGPRX4S1PR1
SCHEMBL7082978 0.83 AR (0.41) ALOX5AP
SCHEMBL27585995 0.78 ALOX5AP (0.41) EDNRBEDNRAPTGER1ALOX5APRXRA
SCHEMBL7083186 0.78 MAPT (0.43) PTGER1ALOX5APRXRARXRBRXRG
SCHEMBL5839009 0.69 RXRA (0.55) RXRARXRBRXRGMRGPRX4
SCHEMBL8697539 0.68 SERPINE1 (0.38)
SCHEMBL7089675 0.68 ABCB11 (0.48) EDNRBEDNRAALOX5AP
SCHEMBL6780034 0.65 CCR2 (0.61) EDNRBEDNRA
SCHEMBL8697038 0.64 SERPINE1 (0.40) EDNRBEDNRA
SCHEMBL6597658 0.64 ABCB11 (0.67)

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 EDNRB 176/4885EDNRA 155/4885PTGER1 185/4885

“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.