SCHEMBL2000965

SCHEMBL2000965

COc1ccc2c(c1)c(CC(=O)O)cn2Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.63
PPARD Q03181 3/20 0.61
PPARG P37231 2/20 0.61
PPARA Q07869 2/20 0.61
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 1/20 0.53
SERPINE1 P05121 2/20 0.51
ICMT O60725 1/20 0.51
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CHRM5 P08912 1/20 0.48
PLA2G1B P04054 1/20 0.48

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
SCHEMBL3033152 0.90 MTNR1A (0.56) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL20769739 0.85 PLA2G2A (0.83) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL8171659 0.85 PPARD (0.82) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL8174648 0.84 PLA2G2A (0.61) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL13239997 0.83 HTR6 (0.52) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL3031169 0.81 MTNR1A (0.64) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL1997142 0.80 PLA2G2A (0.76) PLA2G2AALDH1A1LMNAPLA2G1B
SCHEMBL8171623 0.80 ALDH1A1 (0.64) PLA2G2APPARDPPARGPPARAMTNR1A
SCHEMBL8180482 0.80 PPARD (0.68) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL13930965 0.79 PPARD (0.77) PLA2G2APPARDPPARGPPARAICMT

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 7 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
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-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
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

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 3285/4885PPARD 735/4885PPARG 686/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PPARD 3651/4885PPARG 3637/4885

“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.