SCHEMBL2000564

SCHEMBL2000564

CCc1c(CC(=O)O)c2cccc(C(=O)O)c2n1Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 13/20 0.50
PLA2G2A P14555 3/20 0.48
FABP3 P05413 1/20 0.47
FOLH1 Q04609 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL2001732 0.89 PLA2G2A (0.49) FABP4PLA2G2AFABP3FOLH1PTGDR2
SCHEMBL2004747 0.88 PLA2G2A (0.50) PLA2G2APTGDR2ABCB1
SCHEMBL2011533 0.87 FABP4 (0.60) FABP4PLA2G2AFABP3PTGDR2
SCHEMBL2008863 0.84 FABP4 (0.48) FABP4FABP3FOLH1PTGDR2
SCHEMBL2001248 0.83 PLA2G2A (0.51) PLA2G2A
SCHEMBL2000323 0.83 FABP4 (0.44) FABP4PLA2G2AFABP3FOLH1PTGDR2
SCHEMBL2005799 0.81 PLA2G2A (0.52) FABP4PLA2G2APTGDR2ABCB1
SCHEMBL2000428 0.78 PLA2G2A (0.61) PLA2G2AFOLH1
SCHEMBL2008276 0.78 PLA2G2A (0.53) FABP4PLA2G2AFOLH1ABCB1
SCHEMBL2007975 0.77 PLA2G2A (0.73) PLA2G2A

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 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.