SCHEMBL2007254

SCHEMBL2007254

CCc1c(C(=O)O)c2cccc(O)c2n1Cc1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.42
MIF P14174 3/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
FABP4 P15090 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 3/20 0.41
PLA2G10 O15496 2/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
PLA2G2D Q9UNK4 2/20 0.41
TLR7 Q9NYK1 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G5 P39877 1/20 0.39
PLA2G2F Q9BZM2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2002208 0.90 FABP4 (0.50) PLA2G2AMAPTFABP4KDM4ELMNA
SCHEMBL2004182 0.88 FABP4 (0.42) PLA2G2AGAAMAPTPKMFABP4
SCHEMBL2003246 0.83 S1PR3 (0.43) GAAMAPTPKMFABP4KDM4E
SCHEMBL2003838 0.83 PLA2G2A (0.51) PLA2G2AMIFPLA2G1BTHRB
SCHEMBL2008014 0.83 PLA2G2A (0.58) PLA2G2AMIFGAAMAPTPKM
SCHEMBL2001512 0.82 PLA2G2A (0.47) PLA2G2AMIFPLA2G1BPLA2G10PLA2G2E
SCHEMBL2008576 0.81 BID (0.41) PLA2G2AMAPTFABP4KDM4E
SCHEMBL2003897 0.76 PTGDR2 (0.53) PLA2G2APLA2G1BTHRB
SCHEMBL290764 0.75 PLA2G2A (0.67) PLA2G2AGAAMAPTPKMKDM4E
SCHEMBL2004858 0.75 PLA2G2A (0.58) PLA2G2AGAAMAPTPKMKDM4E

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 17 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
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
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-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-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
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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 (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 PLA2G2A 3285/4885MIF 37/4885GAA 4587/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PLA2G2A 486/4885MIF 404/4885GAA 3213/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885MIF 288/4885GAA 1769/4885

“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.