SCHEMBL1999787

SCHEMBL1999787

CC(C)(C)OC(=O)N[C@@H](CSc1c(N)cc(C(F)(F)F)cc1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.50
PPARG P37231 10/20 0.50
PPARD Q03181 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
ACE P12821 2/20 0.38
AAK1 Q2M2I8 1/20 0.36
CTSL P07711 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1997073 0.85 PPARG (0.48) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL15564586 0.77 PPARA (0.56) PPARAPPARGPPARDACECTSL
SCHEMBL15564582 0.77 PPARA (0.56) PPARAPPARGPPARDACECTSL
SCHEMBL1999786 0.77 CFTR (0.36) PPARAPPARGALDH1A1KDM4EHPGD
SCHEMBL12475052 0.76 PPARA (0.66) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL12475051 0.76 PPARA (0.66) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL1999221 0.74 PPARA (0.55) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL26962083 0.74 PPARA (0.47) PPARAPPARGPPARDACEAAK1
SCHEMBL27132936 0.74 PPARA (0.42) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL26962095 0.74 PPARA (0.42) PPARAPPARGPPARDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 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 (1 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-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C PPARA 857/4885PPARG 976/4885PPARD 1040/4885

“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.