SCHEMBL1997668

SCHEMBL1997668

CC(C)c1c(CC(=O)O)c2c(C(=O)O)cccc2n1Cc1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
FOLH1 Q04609 1/20 0.42
YWHAH Q04917 1/20 0.38
PLA2G2A P14555 9/20 0.38
NOTUM Q6P988 1/20 0.38
MIF P14174 3/20 0.36
S1PR3 Q99500 2/20 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
SCHEMBL2004847 0.89 PLA2G2A (0.49) THRATHRBFOLH1YWHAHPLA2G2A
SCHEMBL2008507 0.89 THRA (0.42) THRATHRBFOLH1YWHAHPLA2G2A
SCHEMBL2002129 0.86 PLA2G2A (0.49) FOLH1PLA2G2AMIF
SCHEMBL1998402 0.86 PLA2G2A (0.53) THRATHRBFOLH1PLA2G2ANOTUM
SCHEMBL1999432 0.83 FABP4 (0.46) THRATHRBFOLH1YWHAH
SCHEMBL2004917 0.82 AKR1B1 (0.40) THRATHRBFOLH1PLA2G2A
SCHEMBL2001710 0.81 PLA2G2A (0.52) THRATHRBFOLH1PLA2G2AS1PR3
SCHEMBL2004458 0.81 PLA2G2A (0.52) THRATHRBFOLH1YWHAHPLA2G2A
SCHEMBL2000334 0.80 FOLH1 (0.51) THRATHRBFOLH1YWHAHPLA2G2A
SCHEMBL2007112 0.80 FOLH1 (0.51) THRATHRBFOLH1PLA2G2AS1PR3

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 16 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-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.