SCHEMBL2001908

SCHEMBL2001908

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 15/20 0.53
AKR1B1 P15121 1/20 0.42
ABCB1 P08183 1/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2001090 0.91 PLA2G2A (0.64) PLA2G2AAKR1B1
SCHEMBL1999392 0.89 ABCB1 (0.45) PLA2G2AAKR1B1ABCB1
SCHEMBL2002551 0.87 PLA2G2A (0.68) PLA2G2AABCB1
SCHEMBL2002582 0.86 PLA2G2A (0.63) PLA2G2AAKR1B1THRATHRB
SCHEMBL2002697 0.85 PLA2G2A (0.47) PLA2G2AAKR1B1THRATHRB
SCHEMBL2003634 0.84 PLA2G2A (0.46) PLA2G2AAKR1B1THRATHRB
SCHEMBL2012300 0.84 PLA2G2A (0.46) PLA2G2AAKR1B1THRATHRB
SCHEMBL2003567 0.84 PLA2G2A (0.48) PLA2G2AAKR1B1THRATHRB
SCHEMBL2002686 0.84 PLA2G2A (0.44) PLA2G2A
SCHEMBL2007060 0.83 PLA2G2A (0.60) PLA2G2AABCB1THRATHRB

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 10 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1157/4885ABCB1 2043/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885AKR1B1 696/4885ABCB1 2257/4885

“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.