SCHEMBL2009703

SCHEMBL2009703

CCc1c(CC(=O)O)c2cc(C(=O)O)ccc2n1Cc1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 13/20 0.51
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
FOLH1 Q04609 1/20 0.43
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 1/20 0.42
AKR1B1 P15121 1/20 0.40
LMNA P02545 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
SCHEMBL1999392 0.91 ABCB1 (0.45) PLA2G2AALDH1A1HPGDFOLH1ABCB1
SCHEMBL2001090 0.89 PLA2G2A (0.64) PLA2G2AKDM4EAKR1B1LMNA
SCHEMBL2001546 0.87 PLA2G2A (0.54) PLA2G2AALDH1A1KDM4ELMNA
SCHEMBL2001908 0.82 PLA2G2A (0.53) PLA2G2AABCB1AKR1B1
SCHEMBL2000428 0.82 PLA2G2A (0.61) PLA2G2AALDH1A1HPGDFOLH1KDM4E
SCHEMBL2006837 0.82 PLA2G2A (0.61) PLA2G2AFOLH1
SCHEMBL2000323 0.80 FABP4 (0.44) PLA2G2AFOLH1ABCB1AKR1B1
SCHEMBL2005426 0.79 AKR1B1 (0.46) PLA2G2AALDH1A1HPGDABCB1KDM4E
SCHEMBL2004765 0.78 PLA2G2A (0.48) PLA2G2AABCB1AKR1B1
SCHEMBL2004865 0.78 THRA (0.50) PLA2G2AFOLH1ABCB1AKR1B1

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-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
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 3285/4885ALDH1A1 1229/4885HPGD 262/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PLA2G2A 486/4885ALDH1A1 1494/4885HPGD 284/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885ALDH1A1 178/4885HPGD 224/4885

“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.