SCHEMBL2004865

SCHEMBL2004865

Cc1c(CC(=O)O)c2ccc(C(=O)O)cc2n1Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PLA2G2A P14555 9/20 0.49
PTGDR2 Q9Y5Y4 4/20 0.46
PLA2G1B P04054 1/20 0.46
FOLH1 Q04609 1/20 0.44
ABCB1 P08183 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC22A12 Q96S37 2/20 0.42
AKR1B1 P15121 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 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
SCHEMBL2001546 0.91 PLA2G2A (0.54) THRATHRBPLA2G2APTGDR2PLA2G1B
SCHEMBL2002582 0.88 PLA2G2A (0.63) THRATHRBPLA2G2APTGDR2PLA2G1B
SCHEMBL1999392 0.87 ABCB1 (0.45) PLA2G2AFOLH1ABCB1SLC22A12AKR1B1
SCHEMBL2004202 0.86 THRA (0.43) THRATHRBFOLH1SLC22A12AKR1B1
SCHEMBL2006855 0.81 PLA2G2A (0.60) THRATHRBPLA2G2APTGDR2PLA2G1B
SCHEMBL2010470 0.81 PLA2G2A (0.63) THRATHRBPLA2G2APTGDR2PLA2G1B
SCHEMBL2006571 0.81 PLA2G2A (0.59) THRATHRBPLA2G2APTGDR2PLA2G1B
SCHEMBL2007889 0.78 PTGDR2 (0.52) THRATHRBPLA2G2APTGDR2PLA2G1B
SCHEMBL2002843 0.78 FABP4 (0.53) THRATHRBPLA2G2APTGDR2FOLH1
SCHEMBL2009703 0.78 PLA2G2A (0.51) PLA2G2AFOLH1ABCB1AKR1B1

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 19 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
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
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-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-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
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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 (3 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 THRA 1983/4885THRB 995/4885PLA2G2A 3285/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 THRA 1963/4885THRB 1326/4885PLA2G2A 486/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT THRA 2755/4885THRB 1772/4885PLA2G2A 326/4885

“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.