SCHEMBL2002085

SCHEMBL2002085

Cc1c(CC(=O)O)c2ccc(Cl)cc2n1Cc1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.70
AKR1B1 P15121 15/20 0.59
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL2001831 0.92 PTGDR2 (0.79) PTGDR2AKR1B1PTGESALOX5
SCHEMBL4565555 0.91 PTGDR2 (0.66) PTGDR2AKR1B1PTGESALOX5
SCHEMBL2006672 0.86 PTGDR2 (0.75) PTGDR2AKR1B1PTGESALOX5
SCHEMBL2000681 0.84 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL2004539 0.84 PTGDR2 (0.70) PTGDR2AKR1B1
SCHEMBL2010331 0.84 PTGDR2 (0.67) PTGDR2AKR1B1PTGESALOX5
SCHEMBL2005637 0.82 PTGDR2 (1.00) PTGDR2AKR1B1
SCHEMBL27768408 0.82 PTGDR2 (0.52) PTGDR2AKR1B1ALOX5
SCHEMBL2007355 0.81 PTGDR2 (0.74) PTGDR2AKR1B1
SCHEMBL2000586 0.81 PTGDR2 (0.76) PTGDR2AKR1B1

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 9 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
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-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
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO 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 PTGDR2 68/4885AKR1B1 1157/4885PTGES 19/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PTGDR2 28/4885AKR1B1 1466/4885PTGES 110/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885AKR1B1 696/4885PTGES 208/4885

“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.