SCHEMBL2000323

SCHEMBL2000323

CCc1c(CC(=O)O)c2cccc(C(=O)O)c2n1Cc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 11/20 0.44
PLA2G2A P14555 1/20 0.43
FABP3 P05413 3/20 0.43
AKR1B1 P15121 1/20 0.42
FOLH1 Q04609 1/20 0.40
ABCB1 P08183 1/20 0.39
NR4A3 Q92570 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL2005426 0.91 AKR1B1 (0.46) PLA2G2AAKR1B1ABCB1PTGDR2
SCHEMBL2002843 0.87 FABP4 (0.53) FABP4PLA2G2AFABP3AKR1B1FOLH1
SCHEMBL2012359 0.84 FABP4 (0.42) FABP4FABP3AKR1B1FOLH1PTGDR2
SCHEMBL2002268 0.83 PLA2G2A (0.45) PLA2G2AAKR1B1FOLH1PTGDR2
SCHEMBL2000564 0.83 FABP4 (0.50) FABP4PLA2G2AFABP3FOLH1ABCB1
SCHEMBL2001732 0.81 PLA2G2A (0.49) FABP4PLA2G2AFABP3FOLH1PTGDR2
SCHEMBL2009703 0.80 PLA2G2A (0.51) PLA2G2AAKR1B1FOLH1ABCB1
SCHEMBL1999392 0.80 ABCB1 (0.45) FABP4PLA2G2AAKR1B1FOLH1ABCB1
SCHEMBL2005799 0.80 PLA2G2A (0.52) FABP4PLA2G2AABCB1PTGDR2
SCHEMBL2007889 0.78 PTGDR2 (0.52) PLA2G2AAKR1B1PTGDR2

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 19 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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 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

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 FABP4 559/4885PLA2G2A 3285/4885FABP3 649/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 FABP4 3309/4885PLA2G2A 486/4885FABP3 3236/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FABP4 783/4885PLA2G2A 326/4885FABP3 2016/4885

“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.