SCHEMBL2000903

SCHEMBL2000903

O=C(O)c1cc2cc(O)ccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.75
ABCB11 O95342 2/20 0.72
F10 P00742 1/20 0.68
GPR35 Q9HC97 1/20 0.59
CCR9 P51686 1/20 0.56

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
SCHEMBL2002926 0.90 CCR2 (0.74) CCR2ABCB11F10GPR35
SCHEMBL2006351 0.87 CCR2 (0.79) CCR2ABCB11F10GPR35
SCHEMBL27658570 0.87 CCR2 (0.82) CCR2ABCB11GPR35CCR9
SCHEMBL6308068 0.86 CCR2 (0.73) CCR2ABCB11GPR35CCR9
SCHEMBL3957310 0.86 CCR2 (1.00) CCR2F10GPR35CCR9
SCHEMBL2006370 0.85 F10 (0.68) CCR2ABCB11F10GPR35
SCHEMBL6592482 0.84 CCR2 (1.00) CCR2ABCB11
SCHEMBL6597871 0.83 CCR2 (0.80) CCR2ABCB11F10
SCHEMBL3191922 0.82 CCR2 (0.76) CCR2ABCB11GPR35CCR9
SCHEMBL6303579 0.82 CCR2 (0.85) CCR2GPR35CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CCR2 107/4885ABCB11 3804/4885F10 3605/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CCR2 2597/4885ABCB11 2723/4885F10 1848/4885

“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.