SCHEMBL2005751

SCHEMBL2005751

CC(C)c1c(CC(=O)O)c2c(O)cccc2n1Cc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.46
AKR1B1 P15121 1/20 0.44
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
TBXAS1 P24557 1/20 0.37
ALOX5AP P20292 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
DNMT1 P26358 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2004917 0.91 AKR1B1 (0.40) PLA2G2AAKR1B1THRBTHRATBXAS1
SCHEMBL2010405 0.89 PLA2G2A (0.59) PLA2G2ATHRBTHRAPTGDR2FOLH1
SCHEMBL2004563 0.85 PLA2G2A (0.51) PLA2G2ATHRBTHRAPTGDR2
SCHEMBL2004765 0.84 PLA2G2A (0.48) PLA2G2AAKR1B1
SCHEMBL2009549 0.84 PLA2G2A (0.65) PLA2G2AAKR1B1THRBTHRACMA1
SCHEMBL2012434 0.83 PLA2G2A (0.40) PLA2G2AAKR1B1ALOX5APKDM4EMEN1
SCHEMBL2004847 0.83 PLA2G2A (0.49) PLA2G2ATHRBTHRAFOLH1
SCHEMBL2012305 0.83 AKR1B1 (0.49) PLA2G2AAKR1B1THRBTHRAKDM4E
SCHEMBL2005086 0.81 AKR1B1 (0.47) PLA2G2AAKR1B1THRBTHRAKDM4E
SCHEMBL2002788 0.81 AKR1B1 (0.47) PLA2G2AAKR1B1THRBTHRAKDM4E

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 10 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3285/4885AKR1B1 1157/4885THRB 995/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885AKR1B1 696/4885THRB 1772/4885

“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.