SCHEMBL2007315

SCHEMBL2007315

COc1ccc2c(c1)c(CC(=O)O)c(C)n2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.74
PTGDR Q13258 5/20 0.74
LMNA P02545 3/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C9 P11712 3/20 0.66
HIF1A Q16665 3/20 0.66
MEN1 O00255 2/20 0.66
MAPT P10636 2/20 0.66
PMP22 Q01453 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP2C19 P33261 2/20 0.66
TSHR P16473 2/20 0.66
NFKB1 P19838 2/20 0.66
RGS12 O14924 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP3A4 P08684 1/20 0.66
PKM P14618 1/20 0.66
MAPK1 P28482 1/20 0.66
GNAI1 P63096 1/20 0.66
ABCB1 P08183 2/20 0.64

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
SCHEMBL13228926 0.91 PTGS2 (0.65) PTGDR2PTGDRLMNACYP1A2CYP2C9
SCHEMBL6025989 0.86 PTGDR2 (0.78) PTGDR2PTGDRMAPTAKR1C3AKR1C2
SCHEMBL6530349 0.85 PTGDR2 (1.00) PTGDR2PTGDRLMNACYP1A2CYP2C9
SCHEMBL6531234 0.85 PTGDR2 (1.00) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL2004522 0.84 PTGDR2 (0.66) PTGDR2PTGDRLMNACYP1A2CYP2C9
SCHEMBL12628490 0.84 HTR6 (0.56) PTGDR2PTGDRLMNACYP1A2CYP2C9
SCHEMBL12571236 0.84 PTGS2 (0.55) PTGDR2PTGDRHIF1APKMAKR1C3
SCHEMBL14610557 0.82 PTGS2 (0.54) PTGDR2PTGDRHIF1APKMAKR1C3
SCHEMBL10943893 0.80 AKR1C3 (0.72) PTGDR2LMNACYP1A2CYP2C9HIF1A
Indomethacin SCHEMBL6356562 0.80 PTGS2 (0.98) PTGDR2LMNACYP1A2CYP2C9HIF1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US claimed
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
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
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
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 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 (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-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 PTGDR2 12/4885PTGDR 19/4885LMNA 3639/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PTGDR2 68/4885PTGDR 61/4885LMNA 3450/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PTGDR2 28/4885PTGDR 87/4885LMNA 4592/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885PTGDR 111/4885LMNA 4536/4885

“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.