SCHEMBL2002879

SCHEMBL2002879

Cc1c(CC(=O)O)c2cc(C(F)(F)F)c(Cl)cc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.55
PPARA Q07869 9/20 0.53
CYP2C9 P11712 4/20 0.53
EGFR P00533 1/20 0.53
CHRM4 P08173 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
ALOX5 P09917 1/20 0.53
ADRB3 P13945 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
CHRM3 P20309 1/20 0.53
TACR2 P21452 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRM1 P35372 1/20 0.53
PTGER4 P35408 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL2002573 0.92 PPARG (0.58) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL3005150 0.92 PPARG (0.57) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2004754 0.90 PPARG (0.56) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2001942 0.90 PPARG (0.56) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2008346 0.90 PPARG (0.51) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2011874 0.89 PTGDR2 (0.57) CYP2C9ALOX5PLA2G2APLA2G1BCYP1A2
SCHEMBL4815562 0.88 PLA2G2A (0.56) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL4543998 0.88 PLA2G2A (0.50) CYP2C9ALOX5PLA2G2APLA2G1BCYP1A2
SCHEMBL2006854 0.86 CYP2C9 (0.61) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2004551 0.86 PPARG (0.64) PPARGPPARACYP2C9EGFRCHRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PPARG 3729/4885PPARA 3609/4885CYP2C9 2538/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PPARG 3637/4885PPARA 3552/4885CYP2C9 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.