SCHEMBL2003246

SCHEMBL2003246

CC(C)c1c(C(=O)O)c2cccc(O)c2n1Cc1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.43
THRB P10828 5/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
FABP4 P15090 1/20 0.39
THRA P10827 4/20 0.39
YWHAH Q04917 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 2/20 0.38

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 0.90 FABP4 (0.48) S1PR3THRBLMNAPOLBFABP4
SCHEMBL1997678 0.88 S1PR3 (0.44) S1PR3THRBMAPTALDH1A1FABP4
SCHEMBL2004421 0.84 THRB (0.49) S1PR3THRBTHRA
SCHEMBL2007254 0.83 PLA2G2A (0.42) THRBMAPTALDH1A1KDM4ELMNA
SCHEMBL2003149 0.82 S1PR3 (0.57) S1PR3YWHAH
SCHEMBL2004606 0.82 S1PR3 (0.57) S1PR3MAPTALDH1A1KDM4ELMNA
SCHEMBL2003935 0.82 MEN1 (0.39) THRBMAPTALDH1A1KDM4ELMNA
SCHEMBL2012404 0.81 PLA2G2A (0.43) S1PR3YWHAH
SCHEMBL4666719 0.81 CYP3A4 (0.37) S1PR3THRBMAPTALDH1A1KDM4E
SCHEMBL1999432 0.76 FABP4 (0.46) THRBFABP4THRAYWHAH

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 21 patents — showing the first 20. 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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 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
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO 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 1215/4885THRB 995/4885MAPT 997/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 S1PR3 944/4885THRB 1326/4885MAPT 3076/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT S1PR3 2165/4885THRB 1772/4885MAPT 3753/4885

“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.