SCHEMBL2004847

SCHEMBL2004847

CC(C)c1c(CC(=O)O)c2c(O)cccc2n1Cc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.49
THRA P10827 6/20 0.47
THRB P10828 6/20 0.47
FOLH1 Q04609 1/20 0.41
MIF P14174 3/20 0.38
S1PR3 Q99500 2/20 0.38
YWHAH Q04917 1/20 0.37

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 0.91 PLA2G2A (0.59) PLA2G2ATHRATHRBFOLH1S1PR3
SCHEMBL1997668 0.89 THRA (0.43) PLA2G2ATHRATHRBFOLH1MIF
SCHEMBL2004563 0.89 PLA2G2A (0.51) PLA2G2ATHRATHRBS1PR3
SCHEMBL2001668 0.85 PLA2G2A (0.51) PLA2G2AFOLH1MIF
SCHEMBL2007263 0.85 PLA2G2A (0.67) PLA2G2ATHRATHRB
SCHEMBL2012404 0.84 PLA2G2A (0.43) PLA2G2AMIFS1PR3YWHAH
SCHEMBL2001710 0.83 PLA2G2A (0.52) PLA2G2ATHRATHRBFOLH1S1PR3
SCHEMBL2004458 0.83 PLA2G2A (0.52) PLA2G2ATHRATHRBFOLH1S1PR3
SCHEMBL2005751 0.83 PLA2G2A (0.46) PLA2G2ATHRATHRBFOLH1
SCHEMBL2004421 0.82 THRB (0.49) PLA2G2ATHRATHRBFOLH1S1PR3

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.