SCHEMBL2004202

SCHEMBL2004202

CC(C)c1c(CC(=O)O)c2ccc(C(=O)O)cc2n1Cc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FOLH1 Q04609 2/20 0.42
SLC22A12 Q96S37 5/20 0.41
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 1/20 0.39
S1PR3 Q99500 6/20 0.39
FABP4 P15090 1/20 0.38
PARP1 P09874 1/20 0.37
TBXAS1 P24557 1/20 0.36

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
SCHEMBL2007907 0.89 PLA2G2A (0.46) THRATHRBAKR1B1S1PR3TBXAS1
SCHEMBL2004865 0.86 THRA (0.50) THRATHRBFOLH1SLC22A12AKR1B1
SCHEMBL1999392 0.84 ABCB1 (0.45) FOLH1SLC22A12AKR1B1FABP4PARP1
SCHEMBL2001513 0.83 THRB (0.44) THRATHRBFOLH1SLC22A12KDM4E
SCHEMBL2002748 0.83 PLA2G2A (0.46) THRATHRBAKR1B1KDM4ES1PR3
SCHEMBL2000334 0.82 FOLH1 (0.51) THRATHRBFOLH1SLC22A12S1PR3
SCHEMBL2012359 0.80 FABP4 (0.42) THRATHRBFOLH1AKR1B1FABP4
SCHEMBL2004144 0.79 THRB (0.44) THRATHRBSLC22A12AKR1B1KDM4E
SCHEMBL2005751 0.79 PLA2G2A (0.46) THRATHRBFOLH1AKR1B1KDM4E
SCHEMBL2004917 0.77 AKR1B1 (0.40) THRATHRBFOLH1AKR1B1KDM4E

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
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
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 995/4885FOLH1 3496/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 THRA 1963/4885THRB 1326/4885FOLH1 1056/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT THRA 2755/4885THRB 1772/4885FOLH1 123/4885

“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.