SCHEMBL7082969

SCHEMBL7082969

O=C(O)c1c(I)c2cc(O)ccc2n1Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.46
PTGER4 P35408 1/20 0.41
CCR2 P41597 6/20 0.40
S1PR3 Q99500 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PPARG P37231 1/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KIF11 P52732 1/20 0.36
PLA2G2A P14555 1/20 0.35
SERPINE1 P05121 1/20 0.35

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
SCHEMBL7083553 0.87 ABCB11 (0.51) ABCB11PTGER4CCR2S1PR3TRPM8
SCHEMBL7089675 0.79 ABCB11 (0.48) ABCB11CCR2S1PR3PPARGMAPT
SCHEMBL7088120 0.77 ABCB11 (0.74) ABCB11CCR2PPARG
SCHEMBL7086963 0.76 ABCB11 (0.55) ABCB11CCR2PPARGMAPTPKM
SCHEMBL7084277 0.74 ABCB11 (0.63) ABCB11CCR2
SCHEMBL7601514 0.73 GAA (0.41) ABCB11PPARGMAPTPKMKDM4E
SCHEMBL7083775 0.71 ABCB11 (0.78) ABCB11CCR2PPARGMAPTPKM
SCHEMBL6599182 0.67 ABCB11 (0.73) ABCB11CCR2
SCHEMBL6781272 0.65 ABCB11 (0.71) ABCB11CCR2
SCHEMBL6598122 0.65 ABCB11 (0.74) ABCB11CCR2MAPTPKMALDH1A1

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 8 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
CN-1395565-A Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2003-02-05 CN 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
CN-1395565-A Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2003-02-05 CN 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 391/4885PTGER4 503/4885CCR2 1/4885

“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.