SCHEMBL2006370

SCHEMBL2006370

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.68
CCR2 P41597 14/20 0.65
ABCB11 O95342 2/20 0.65
GPR35 Q9HC97 1/20 0.55
PPARG P37231 1/20 0.50

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
SCHEMBL832189 0.91 CCR2 (0.71) F10CCR2ABCB11GPR35
Hydrochloric Acid SCHEMBL926656 0.90 CCR2 (0.70) F10CCR2ABCB11GPR35
SCHEMBL2003911 0.88 CCR2 (0.65) F10CCR2ABCB11GPR35
SCHEMBL2002926 0.87 CCR2 (0.74) F10CCR2ABCB11GPR35
SCHEMBL940161 0.86 CCR2 (0.59) F10CCR2ABCB11GPR35
SCHEMBL939920 0.86 CCR2 (0.59) F10CCR2ABCB11GPR35
SCHEMBL27811964 0.86 CCR2 (0.76) F10CCR2GPR35PPARG
SCHEMBL2005378 0.86 CCR2 (0.73) F10CCR2ABCB11GPR35
SCHEMBL2000903 0.85 CCR2 (0.75) F10CCR2ABCB11GPR35
SCHEMBL974474 0.84 CCR2 (0.69) F10CCR2ABCB11GPR35PPARG

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 5 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

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 F10 3605/4885CCR2 107/4885ABCB11 3804/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT F10 1848/4885CCR2 2597/4885ABCB11 2723/4885

“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.