SCHEMBL2006140

SCHEMBL2006140

COc1cc2c(CC(=O)O)c(C)n(S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.53
PTGDR Q13258 5/20 0.53
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL2005969 0.87 PTGDR2 (0.60) PTGDR2PTGDRPTGS1PTGS2
SCHEMBL2004522 0.82 PTGDR2 (0.66) PTGDR2PTGDRPTGS1PTGS2PPARG
SCHEMBL2003749 0.81 PTGDR2 (0.54) PTGDR2PTGDRPTGS1PTGS2
SCHEMBL4815562 0.80 PLA2G2A (0.56) PTGDRPTGS1PTGS2PPARGPPARA
SCHEMBL1940108 0.76 PTGDR2 (0.71) PTGDR2
SCHEMBL2005710 0.76 LMNA (0.61) PTGDR2PTGS1PTGS2PPARG
SCHEMBL5445756 0.75 PTGS2 (0.78) PTGDR2PTGS1PTGS2PPARGAKR1C3
SCHEMBL12255254 0.72 PTGDR2 (0.52) PTGDR2PTGDRAKR1C3
SCHEMBL2007391 0.71 PLA2G2A (0.56) PTGDR2PTGDRPTGS1PTGS2PPARG
SCHEMBL4841510 0.71 PTGS1 (0.55) PTGDR2PTGDRPTGS1PTGS2PPARG

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 7 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
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-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (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 68/4885PTGDR 61/4885PTGS1 34/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885PTGDR 111/4885PTGS1 363/4885

“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.