SCHEMBL2004115

SCHEMBL2004115

CCc1c(C(=O)O)c2cc(O)ccc2n1Cc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.59
MAPT P10636 5/20 0.54
GAA P10253 5/20 0.54
LMNA P02545 4/20 0.54
PKM P14618 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCB11 O95342 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
S1PR3 Q99500 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL290764 0.94 PLA2G2A (0.67) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2005006 0.90 PLA2G2A (0.50) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2008014 0.89 PLA2G2A (0.58) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2004858 0.83 PLA2G2A (0.58) PLA2G2AMAPTGAALMNAPKM
SCHEMBL14880137 0.83 MAPT (0.74) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2005671 0.83 PLA2G2A (0.52) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2007975 0.82 PLA2G2A (0.73) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2003321 0.81 S1PR3 (0.60) PLA2G2AMAPTGAALMNAPKM
SCHEMBL8235996 0.79 MEN1 (0.62) PLA2G2AMAPTGAALMNAPKM
SCHEMBL2004182 0.78 FABP4 (0.42) PLA2G2AMAPTGAALMNAPKM

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-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
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

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 3285/4885MAPT 997/4885GAA 4587/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PLA2G2A 486/4885MAPT 3076/4885GAA 3213/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885MAPT 3753/4885GAA 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.