SCHEMBL2006279

SCHEMBL2006279

CC(C)c1c(C(=O)O)c2cc(O)ccc2n1Cc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.45
LMNA P02545 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G2A P14555 3/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2002089 0.91 S1PR3 (0.52) S1PR3L3MBTL1PLA2G2A
SCHEMBL291421 0.87 S1PR3 (0.65) S1PR3L3MBTL1GAAMAPTPKM
SCHEMBL2002748 0.84 PLA2G2A (0.46) S1PR3L3MBTL1GAAMAPTPKM
SCHEMBL2003321 0.83 S1PR3 (0.60) S1PR3L3MBTL1GAAMAPTPKM
SCHEMBL2005671 0.82 PLA2G2A (0.52) L3MBTL1GAAMAPTPKMALDH1A1
SCHEMBL2004606 0.82 S1PR3 (0.57) S1PR3GAAMAPTPKMALDH1A1
SCHEMBL4544136 0.81 S1PR3 (0.47) S1PR3L3MBTL1GAAMAPTPKM
SCHEMBL27789959 0.81 L3MBTL1 (0.44) S1PR3L3MBTL1GAAMAPTPKM
SCHEMBL2003935 0.80 MEN1 (0.39) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL2012434 0.80 PLA2G2A (0.40) S1PR3MAPTALDH1A1LMNAKDM4E

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 S1PR3 1215/4885L3MBTL1 2079/4885GAA 4587/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 S1PR3 944/4885L3MBTL1 4209/4885GAA 3213/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT S1PR3 2165/4885L3MBTL1 3423/4885GAA 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.