SCHEMBL1997678

SCHEMBL1997678

CC(C)c1c(C(=O)O)c2cccc(O)c2n1Cc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.44
FABP4 P15090 1/20 0.41
THRB P10828 5/20 0.39
THRA P10827 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
YWHAH Q04917 1/20 0.37

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
SCHEMBL2004088 0.93 FABP4 (0.48) S1PR3FABP4THRB
SCHEMBL2003246 0.88 S1PR3 (0.43) S1PR3FABP4THRBTHRAALDH1A1
SCHEMBL2003935 0.84 MEN1 (0.39) FABP4THRBALDH1A1MAPT
SCHEMBL2007312 0.83 THRA (0.48) S1PR3THRBTHRA
SCHEMBL2004182 0.82 FABP4 (0.42) FABP4ALDH1A1GAAMAPTPKM
SCHEMBL2005897 0.81 PLA2G2A (0.45) S1PR3YWHAH
SCHEMBL27790041 0.80 S1PR3 (0.37) S1PR3FABP4THRBTHRAPTGES2
SCHEMBL4544136 0.79 S1PR3 (0.47) S1PR3THRBALDH1A1GAAMAPT
SCHEMBL2003321 0.78 S1PR3 (0.60) S1PR3PTGES2ALDH1A1GAAMAPT
SCHEMBL2006054 0.78 S1PR3 (0.60) S1PR3

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 15 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-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
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 S1PR3 1215/4885FABP4 559/4885THRB 995/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 S1PR3 944/4885FABP4 3309/4885THRB 1326/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT S1PR3 2165/4885FABP4 783/4885THRB 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.