SCHEMBL2010405

SCHEMBL2010405

CC(C)c1c(CC(=O)O)c2c(O)cccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.59
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PLA2G10 O15496 2/20 0.41
PLA2G2F Q9BZM2 2/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
PLA2G2D Q9UNK4 2/20 0.41
FOLH1 Q04609 1/20 0.41
PLA2G1B P04054 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
S1PR3 Q99500 1/20 0.41
PLA2G5 P39877 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
SCHEMBL2004563 0.93 PLA2G2A (0.51) PLA2G2ATHRATHRBPTGDR2S1PR3
SCHEMBL2004847 0.91 PLA2G2A (0.49) PLA2G2ATHRATHRBFOLH1S1PR3
SCHEMBL2005751 0.89 PLA2G2A (0.46) PLA2G2ATHRATHRBFOLH1PTGDR2
SCHEMBL2000980 0.84 PLA2G2A (0.60) PLA2G2APLA2G10PLA2G2FPLA2G2EPLA2G2D
SCHEMBL2005789 0.84 PLA2G2A (0.81) PLA2G2ATHRATHRBPLA2G1BPTGDR2
SCHEMBL2005332 0.82 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G2FPLA2G2EPLA2G2D
SCHEMBL2008507 0.81 THRA (0.42) PLA2G2ATHRATHRBFOLH1PTGDR2
SCHEMBL2004917 0.81 AKR1B1 (0.40) PLA2G2ATHRATHRBFOLH1
SCHEMBL2001708 0.81 THRB (0.50) PLA2G2ATHRATHRBFOLH1PLA2G1B
SCHEMBL1997668 0.80 THRA (0.43) PLA2G2ATHRATHRBFOLH1S1PR3

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 17 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
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
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 PLA2G2A 3285/4885THRA 1983/4885THRB 995/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PLA2G2A 486/4885THRA 1963/4885THRB 1326/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885THRA 2755/4885THRB 1772/4885

“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.