SCHEMBL5658406

SCHEMBL5658406

CCCc1nc(-c2ccccc2)cc(=O)n1CCOc1ccc(CC(OCC)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.58
PPARA Q07869 17/20 0.58
PPARD Q03181 4/20 0.58
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 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
SCHEMBL5658450 0.93 PPARA (0.50) PPARGPPARAPPARDPGRADORA3
SCHEMBL14602220 0.93 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL14602219 0.93 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL5657691 0.93 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL7004233 0.92 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7010493 0.92 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7009669 0.92 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7009193 0.92 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7004348 0.92 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL5660094 0.90 PPARA (0.53) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103215-A1 New monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-08-01 US claimed
US-6369067-B1 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-04-09 US claimed
US-7157581-B2 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-02 US disclosed
US-7157581-B2 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-02 US disclosed
US-7157581-B2 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-02 US disclosed
US-7053217-B2 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2006-05-30 US disclosed
US-20060089500-A1 New monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2006-04-27 US disclosed
US-20020103215-A1 New monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-08-01 US disclosed
US-6369067-B1 Monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-04-09 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-20060089500-A1 New monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP51A1 PPARG 141/4885PPARA 187/4885PPARD 154/4885
US-20020103215-A1 New monocyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP27A1 PPARG 133/4885PPARA 176/4885PPARD 139/4885

“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.