SCHEMBL2002268

SCHEMBL2002268

CCc1c(CC(=O)O)c2c(C(=O)O)cccc2n1Cc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.45
AKR1B1 P15121 1/20 0.41
PLA2G1B P04054 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FOLH1 Q04609 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
SCHEMBL2004765 0.91 PLA2G2A (0.48) PLA2G2AAKR1B1PLA2G1B
SCHEMBL2006559 0.86 PLA2G2A (0.54) PLA2G2AAKR1B1PLA2G1BPTGDR2
SCHEMBL2004917 0.86 AKR1B1 (0.40) PLA2G2AAKR1B1KDM4EALDH1A1FOLH1
SCHEMBL2000323 0.83 FABP4 (0.44) PLA2G2AAKR1B1PTGDR2FOLH1
SCHEMBL2001248 0.83 PLA2G2A (0.51) PLA2G2APLA2G1B
SCHEMBL2002129 0.81 PLA2G2A (0.49) PLA2G2APLA2G1BPTGDR2FOLH1
SCHEMBL2000980 0.80 PLA2G2A (0.60) PLA2G2APLA2G1B
SCHEMBL2005114 0.79 PLA2G2A (0.47) PLA2G2APLA2G1B
SCHEMBL2005426 0.78 AKR1B1 (0.46) PLA2G2AAKR1B1PTGDR2KDM4EALDH1A1
SCHEMBL2009703 0.77 PLA2G2A (0.51) PLA2G2AAKR1B1KDM4EALDH1A1FOLH1

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 17 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
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 PLA2G2A 3285/4885AKR1B1 1157/4885PLA2G1B 2354/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PLA2G2A 486/4885AKR1B1 1466/4885PLA2G1B 481/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885AKR1B1 696/4885PLA2G1B 220/4885

“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.