SCHEMBL2010075

SCHEMBL2010075

O=C(O)Cc1cn(Cc2ccccc2O)c2ccc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
PLA2G2A P14555 4/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
F2 P00734 1/20 0.43
SLC22A12 Q96S37 2/20 0.42
PLA2G4A P47712 1/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
CDC25A P30304 1/20 0.42
ICMT O60725 4/20 0.40
KDM4E B2RXH2 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
SCHEMBL2004339 0.90 SLC22A12 (0.53) AKR1B1PLA2G2AALDH1A1LMNASLC22A12
SCHEMBL2004427 0.88 PLA2G2A (0.62) AKR1B1PLA2G2AALDH1A1LMNASLC22A12
SCHEMBL2008179 0.81 PLA2G2A (0.58) PLA2G2AALDH1A1LMNAF2PLA2G4A
SCHEMBL2006088 0.81 PLA2G2A (0.58) PLA2G2AALDH1A1LMNAF2SLC22A12
SCHEMBL2012378 0.80 AKR1B1 (0.51) AKR1B1PLA2G2AALDH1A1LMNASLC22A12
SCHEMBL2001314 0.78 AKR1B1 (0.56) AKR1B1PLA2G2AALDH1A1LMNASLC22A12
SCHEMBL2008504 0.77 AKR1B1 (0.50) AKR1B1PLA2G2AALDH1A1LMNAKDM4E
SCHEMBL2008295 0.76 AKR1B1 (0.56) AKR1B1ALDH1A1LMNACDC25AKDM4E
SCHEMBL2001546 0.75 PLA2G2A (0.54) PLA2G2AALDH1A1LMNAKDM4E
SCHEMBL2004159 0.74 PLA2G2A (0.81) PLA2G2AALDH1A1LMNAPLA2G4APPARG

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 AKR1B1 1157/4885PLA2G2A 3285/4885ALDH1A1 1229/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 AKR1B1 1466/4885PLA2G2A 486/4885ALDH1A1 1494/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1B1 696/4885PLA2G2A 326/4885ALDH1A1 178/4885

“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.