SCHEMBL2993976

SCHEMBL2993976

O=C(O)c1cc2cc(O)cnc2n1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.48
ABCB11 O95342 3/20 0.46
CCR9 P51686 5/20 0.45
GPR35 Q9HC97 2/20 0.43
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42

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
SCHEMBL3001949 0.89 CCR2 (0.55) CCR2ABCB11CCR9GPR35
SCHEMBL2994597 0.89 CCR2 (0.41) CCR2ABCB11CCR9GPR35
SCHEMBL2995558 0.88 CCR2 (0.56) CCR2ABCB11CCR9GPR35
SCHEMBL2999654 0.87 F10 (0.45) CCR2ABCB11GPR35CNR1
SCHEMBL4384057 0.85 CCR2 (0.58) CCR2ABCB11CCR9GPR35
SCHEMBL3119623 0.82 CCR2 (0.55) CCR2ABCB11CCR9GPR35CNR2
SCHEMBL3005519 0.82 CCR2 (0.60) CCR2ABCB11CCR9GPR35
SCHEMBL3001509 0.81 L3MBTL1 (0.42) CCR2GPR35CNR1
SCHEMBL297540 0.80 CCR2 (0.46) CCR2ABCB11CCR9GPR35
SCHEMBL3002097 0.78 CCR2 (0.57) CCR2ABCB11CCR9GPR35

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 7 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CCR2 107/4885ABCB11 3804/4885CCR9 1155/4885

“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.