SCHEMBL2000334

SCHEMBL2000334

CC(C)c1c(CC(=O)O)c2ccc(C(=O)O)cc2n1Cc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.51
YWHAH Q04917 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
PLA2G2A P14555 2/20 0.43
SLC22A12 Q96S37 2/20 0.43
S1PR3 Q99500 7/20 0.42
FABP4 P15090 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
SCHEMBL2007112 0.92 FOLH1 (0.51) FOLH1THRATHRBPLA2G2AS1PR3
SCHEMBL2004458 0.91 PLA2G2A (0.52) FOLH1YWHAHTHRATHRBPLA2G2A
SCHEMBL2001513 0.88 THRB (0.44) FOLH1YWHAHTHRATHRBPLA2G2A
SCHEMBL2006571 0.86 PLA2G2A (0.59) FOLH1THRATHRBPLA2G2A
SCHEMBL2001710 0.85 PLA2G2A (0.52) FOLH1THRATHRBPLA2G2AS1PR3
SCHEMBL2001945 0.85 PLA2G2A (0.60) FOLH1YWHAHTHRATHRBPLA2G2A
SCHEMBL2006779 0.84 PLA2G2A (0.53) FOLH1PLA2G2ASLC22A12FABP4
SCHEMBL1999432 0.82 FABP4 (0.46) FOLH1YWHAHTHRATHRBFABP4
SCHEMBL2004202 0.82 THRA (0.43) FOLH1THRATHRBSLC22A12S1PR3
SCHEMBL2005441 0.81 PLA2G2A (0.52) YWHAHTHRATHRBPLA2G2AS1PR3

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 FOLH1 3496/4885YWHAH 907/4885THRA 1983/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 FOLH1 1056/4885YWHAH 2199/4885THRA 1963/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FOLH1 123/4885YWHAH 1610/4885THRA 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.