SCHEMBL2007889

SCHEMBL2007889

Cc1c(CC(=O)O)c2cccc(O)c2n1Cc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.52
AKR1B1 P15121 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PLA2G2A P14555 2/20 0.43
PLA2G1B P04054 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL2002843 0.92 FABP4 (0.53) PTGDR2AKR1B1THRATHRBPLA2G2A
SCHEMBL2005075 0.88 PTGDR2 (0.62) PTGDR2THRATHRBPLA2G2APLA2G1B
SCHEMBL2005426 0.87 AKR1B1 (0.46) PTGDR2AKR1B1THRATHRBPLA2G2A
SCHEMBL2009316 0.87 AKR1B1 (0.49) PTGDR2AKR1B1THRATHRBPLA2G2A
SCHEMBL2007055 0.86 AKR1B1 (0.47) PTGDR2AKR1B1THRATHRBKDM4E
SCHEMBL2002546 0.86 AKR1B1 (0.47) PTGDR2AKR1B1THRATHRBKDM4E
SCHEMBL2003904 0.86 AKR1B1 (0.47) PTGDR2AKR1B1THRATHRBPLA2G2A
SCHEMBL2004144 0.85 THRB (0.44) PTGDR2AKR1B1THRATHRBKDM4E
SCHEMBL2006957 0.83 PTGDR2 (0.54) PTGDR2THRATHRBPLA2G2APLA2G1B
SCHEMBL2003897 0.81 PTGDR2 (0.53) PTGDR2THRATHRBPLA2G2APLA2G1B

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 PTGDR2 68/4885AKR1B1 1157/4885THRA 1983/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885AKR1B1 696/4885THRA 2755/4885

“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.