SCHEMBL2004747

SCHEMBL2004747

CCc1c(CC(=O)O)c2cccc(O)c2n1Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.50
PTGDR2 Q9Y5Y4 14/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ABCB1 P08183 1/20 0.41

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
SCHEMBL2005799 0.93 PLA2G2A (0.52) PLA2G2APTGDR2THRATHRBABCB1
SCHEMBL2003838 0.88 PLA2G2A (0.51) PLA2G2APTGDR2THRATHRB
SCHEMBL2000564 0.88 FABP4 (0.50) PLA2G2APTGDR2ABCB1
SCHEMBL2006957 0.88 PTGDR2 (0.54) PLA2G2APTGDR2THRATHRB
SCHEMBL2003410 0.85 PTGDR2 (0.45) PLA2G2APTGDR2THRATHRB
SCHEMBL2004958 0.84 PLA2G2A (0.43) PLA2G2APTGDR2THRATHRB
SCHEMBL2000805 0.84 PTGDR2 (0.42) PTGDR2THRATHRB
SCHEMBL2005426 0.84 AKR1B1 (0.46) PLA2G2APTGDR2THRATHRBABCB1
SCHEMBL2004559 0.84 PTGDR2 (0.42) PLA2G2APTGDR2THRATHRB
SCHEMBL2007312 0.83 THRA (0.48) PTGDR2THRATHRB

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 10 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
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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US 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-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
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 PLA2G2A 3285/4885PTGDR2 68/4885THRA 1983/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PTGDR2 157/4885THRA 2755/4885

“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.