SCHEMBL2006470

SCHEMBL2006470

O=C(O)Cn1c(Cl)c(Cc2cccc(OC(F)(F)F)c2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.47
MAPK14 Q16539 1/20 0.43
CYP2C9 P11712 2/20 0.43
PPARA Q07869 7/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SERPINE1 P05121 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCB1 P08183 1/20 0.41
EGFR P00533 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX5 P09917 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
TACR2 P21452 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL12571182 0.90 PPARG (0.50) PPARGCYP2C9PPARAEGFRCHRM4
SCHEMBL12571184 0.90 PPARG (0.54) PPARGCYP2C9PPARAPTGDR2EGFR
SCHEMBL2005607 0.89 PPARG (0.49) PPARGCYP2C9PPARAEGFRCHRM4
SCHEMBL2005853 0.83 FOLH1 (0.51) PPARGCYP2C9PPARAPTGDR2SERPINE1
SCHEMBL12571214 0.80 PPARG (0.57) PPARGCYP2C9PPARAEGFRCHRM4
SCHEMBL2004289 0.76 PLA2G2A (0.59) PPARGCYP2C9PPARAPTGDR2KDM4E
SCHEMBL12571186 0.73 PPARG (0.56) PPARGCYP2C9PPARAPTGDR2EGFR
SCHEMBL12571183 0.73 PPARG (0.51) PPARGCYP2C9PPARAEGFRCHRM4
SCHEMBL1998913 0.72 PPARG (0.50) PPARGCYP2C9PPARASERPINE1EGFR
SCHEMBL2003599 0.72 PPARG (0.48) PPARGMAPK14CYP2C9PPARAPTGDR2

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 PPARG 686/4885MAPK14 1932/4885CYP2C9 915/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PPARG 3637/4885MAPK14 4367/4885CYP2C9 608/4885

“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.