SCHEMBL2004563

SCHEMBL2004563

CC(C)c1c(CC(=O)O)c2c(O)cccc2n1Cc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.51
THRA P10827 5/20 0.46
THRB P10828 5/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.39
S1PR3 Q99500 3/20 0.39
CA2 P00918 1/20 0.38
CAMK2A Q9UQM7 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
SCHEMBL2010405 0.93 PLA2G2A (0.59) PLA2G2ATHRATHRBPTGDR2S1PR3
SCHEMBL2004847 0.89 PLA2G2A (0.49) PLA2G2ATHRATHRBS1PR3
SCHEMBL2008507 0.89 THRA (0.42) PLA2G2ATHRATHRBPTGDR2S1PR3
SCHEMBL2005751 0.85 PLA2G2A (0.46) PLA2G2ATHRATHRBPTGDR2
SCHEMBL2005741 0.85 PLA2G2A (0.53) PLA2G2A
SCHEMBL2000364 0.84 PLA2G2A (0.70) PLA2G2ATHRATHRBPTGDR2
SCHEMBL2005897 0.83 PLA2G2A (0.45) PLA2G2AS1PR3
SCHEMBL2000978 0.83 PLA2G2A (0.52) PLA2G2ATHRATHRBPTGDR2CA2
SCHEMBL2003295 0.82 PLA2G2A (0.51) PLA2G2ATHRATHRBPTGDR2CA2
SCHEMBL2001958 0.82 PLA2G2A (0.51) PLA2G2ATHRATHRBPTGDR2CA2

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 3285/4885THRA 1983/4885THRB 995/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885THRA 2755/4885THRB 1772/4885

“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.