SCHEMBL2004289

SCHEMBL2004289

Cc1c(CC(=O)O)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.59
PLA2G1B P04054 1/20 0.59
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
PTGDR2 Q9Y5Y4 2/20 0.56
PPARG P37231 10/20 0.54
FOLH1 Q04609 1/20 0.52
PPARA Q07869 7/20 0.51
CYP2C9 P11712 3/20 0.51
EGFR P00533 1/20 0.51
CHRM4 P08173 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRA2A P08913 1/20 0.51
ALOX5 P09917 1/20 0.51
ADRB3 P13945 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
CHRM3 P20309 1/20 0.51
TACR2 P21452 1/20 0.51
DRD1 P21728 1/20 0.51

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
SCHEMBL2006980 0.92 PLA2G2A (0.68) PLA2G2APLA2G1BPTGDR2PPARGCYP2C9
SCHEMBL1998692 0.89 PTGDR2 (0.68) PLA2G2APLA2G1BPTGDR2PPARGPPARA
SCHEMBL2005853 0.88 FOLH1 (0.51) PLA2G2APLA2G1BTHRATHRBPTGDR2
SCHEMBL1997142 0.88 PLA2G2A (0.76) PLA2G2APLA2G1BCYP2C9CYP1A2CYP2C19
SCHEMBL2006854 0.88 CYP2C9 (0.61) PLA2G2APLA2G1BPTGDR2PPARGPPARA
SCHEMBL2004551 0.88 PPARG (0.64) PLA2G2APLA2G1BPTGDR2PPARGPPARA
SCHEMBL2002573 0.87 PPARG (0.58) PLA2G2APLA2G1BPTGDR2PPARGPPARA
SCHEMBL2003968 0.87 PPARG (0.54) PLA2G2APLA2G1BPTGDR2PPARGPPARA
SCHEMBL3005150 0.86 PPARG (0.57) PLA2G2APLA2G1BPTGDR2PPARGPPARA
SCHEMBL4210031 0.85 THRA (0.60) PLA2G2APLA2G1BTHRATHRBPTGDR2

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 3285/4885PLA2G1B 2354/4885THRA 1983/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PLA2G1B 220/4885THRA 2755/4885

“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.