SCHEMBL4076115

SCHEMBL4076115

C=C(C(=O)Nc1ccc(CC(OCC)C(=O)OCC)cc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.55
PPARA Q07869 13/20 0.49
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PPARD Q03181 3/20 0.38
ENPP1 P22413 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ENPP3 O14638 1/20 0.36

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
SCHEMBL7111862 0.91 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4798958 0.84 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4798962 0.84 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4081825 0.84 PPARG (0.53) PPARGPPARACA12CA1CA2
SCHEMBL4072795 0.82 PPARG (0.56) PPARGPPARAMAPTALDH1A1
SCHEMBL4795714 0.81 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4076821 0.80 PPARA (0.58) PPARGPPARAMAPTPPARD
SCHEMBL4080386 0.80 PPARA (0.58) PPARGPPARAMAPTPPARD
SCHEMBL4073436 0.80 PPARG (0.56) PPARGPPARACA12CA1CA2
SCHEMBL6832987 0.80 PPARG (0.49) PPARGPPARACA12CA1CA2

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
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 PPARG 172/4885PPARA 182/4885CA12 4144/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 PPARG 169/4885PPARA 179/4885CA12 4107/4885

“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.