SCHEMBL2001561

SCHEMBL2001561

Cc1c(CC(=O)O)c2cc(O)ccc2n1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.64
PLA2G1B P04054 1/20 0.57
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL27360541 0.91 PLA2G2A (0.79) PLA2G2A
SCHEMBL27407027 0.89 PLA2G2A (0.59) PLA2G2APLA2G1BGAAMAPTPKM
SCHEMBL5437216 0.88 PLA2G2A (0.82) PLA2G2APLA2G1BGAAMAPTPKM
SCHEMBL27389295 0.88 PLA2G2A (0.67) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL2004123 0.83 PLA2G2A (0.71) PLA2G2APLA2G1BGAAMAPTPKM
SCHEMBL27359914 0.81 PLA2G2A (0.50) PLA2G2APLA2G1BMAPTPTGDR2THRA
SCHEMBL2004243 0.81 PLA2G2A (0.72) PLA2G2APLA2G1BGAAMAPTPKM
SCHEMBL27452759 0.81 PLA2G2A (0.79) PLA2G2A
SCHEMBL11254007 0.80 PLA2G2A (0.54) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL2010470 0.80 PLA2G2A (0.63) PLA2G2APLA2G1BGAAMAPTPKM

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 14 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
CN-1068588-C 1H-indole-3-acetamide splA2 inhibitors LILLY CO ELI (US) 2001-07-18 CN disclosed
CN-1067986-C 1H-indole-3-acetic acid hydrazide spla2 inhibitors LILLY CO ELI (US) 2001-07-04 CN disclosed
CN-1098714-A The 1H-indole-3-acetic acid hydrazide spla 2 inhibitors LILLY CO ELI (US) 1995-02-15 CN disclosed
CN-1098715-A PLA 2 inhibitors 1H-indole-3-acetamide compounds LILLY CO ELI (US) 1995-02-15 CN 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 3285/4885PLA2G1B 2354/4885GAA 4587/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PLA2G1B 220/4885GAA 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.