SCHEMBL1999392

SCHEMBL1999392

CCc1c(CC(=O)O)c2ccc(C(=O)O)cc2n1Cc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
PLA2G2A P14555 8/20 0.43
SLC22A12 Q96S37 4/20 0.43
FOLH1 Q04609 2/20 0.43
AKR1B1 P15121 1/20 0.40
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 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
SCHEMBL2009703 0.91 PLA2G2A (0.51) ABCB1PLA2G2AFOLH1AKR1B1ALDH1A1
SCHEMBL2001908 0.89 PLA2G2A (0.53) ABCB1PLA2G2AAKR1B1
SCHEMBL2004865 0.87 THRA (0.50) ABCB1PLA2G2ASLC22A12FOLH1AKR1B1
SCHEMBL2004202 0.84 THRA (0.43) SLC22A12FOLH1AKR1B1FABP4PARP1
SCHEMBL2001090 0.82 PLA2G2A (0.64) PLA2G2AAKR1B1
SCHEMBL2008276 0.82 PLA2G2A (0.53) ABCB1PLA2G2ASLC22A12FOLH1FABP4
SCHEMBL2006779 0.82 PLA2G2A (0.53) ABCB1PLA2G2ASLC22A12FOLH1FABP4
SCHEMBL2000323 0.80 FABP4 (0.44) ABCB1PLA2G2AFOLH1AKR1B1FABP4
SCHEMBL7418329 0.80 SLC22A12 (0.50) SLC22A12FABP4ALDH1A1
SCHEMBL2005426 0.79 AKR1B1 (0.46) ABCB1PLA2G2AAKR1B1ALDH1A1HPGD

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 ABCB1 2043/4885PLA2G2A 3285/4885SLC22A12 2301/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 ABCB1 3137/4885PLA2G2A 486/4885SLC22A12 1213/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ABCB1 2257/4885PLA2G2A 326/4885SLC22A12 2310/4885

“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.