SCHEMBL2004522

SCHEMBL2004522

COc1cc2c(CC(=O)O)c(C)n(S(=O)(=O)c3ccc(Cl)cc3)c2cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.66
PTGDR Q13258 5/20 0.66
PTGS1 P23219 2/20 0.65
PTGS2 P35354 2/20 0.65
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 2/20 0.48
PMP22 Q01453 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
RGS12 O14924 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48

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 0.89 PTGDR2 (0.60) PTGDR2PTGDRPTGS1PTGS2
SCHEMBL4841510 0.88 PTGS1 (0.55) PTGDR2PTGDRPTGS1PTGS2MEN1
SCHEMBL2003749 0.87 PTGDR2 (0.54) PTGDR2PTGDRPTGS1PTGS2
SCHEMBL2007315 0.84 PTGDR2 (0.74) PTGDR2PTGDRPTGS1PTGS2MEN1
SCHEMBL2006140 0.82 PTGDR2 (0.53) PTGDR2PTGDRPTGS1PTGS2PPARG
SCHEMBL6025989 0.81 PTGDR2 (0.78) PTGDR2PTGDRPTGS1PTGS2MAPT
SCHEMBL2003800 0.80 LMNA (0.71) PTGDR2PTGS1PTGS2MEN1LMNA
SCHEMBL6531234 0.80 PTGDR2 (1.00) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL2006053 0.79 PTGS2 (1.00) PTGDR2PTGS1PTGS2MEN1LMNA
SCHEMBL5250248 0.75 PTGDR2 (0.67) PTGDR2PTGDR

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 12 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
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
EP-1811993-A2 MODULATORS OF CRTH2, COX-2 AND FAAH Microbia, Inc. (US) 2007-08-01 EP disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2006036994-A2 MODULATORS OF CRTH2, COX-2 AND FAAH MICROBIA, INC. (US) 2006-04-06 WO disclosed
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (4 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PTGDR2 28/4885PTGDR 87/4885PTGS1 159/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885PTGDR 111/4885PTGS1 363/4885
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 PTGDR2 5/4885PTGDR 8/4885PTGS1 14/4885

“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.