SCHEMBL1999786

SCHEMBL1999786

CC(C)(C)OC(=O)N[C@](C)(Sc1c(N)cc(C(F)(F)F)cc1Cl)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.36
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRE P78334 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL1999787 0.77 PPARA (0.50) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL6816467 0.69 RXFP1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12514743 0.68 GPBAR1 (0.42) CFTRRXFP1CACNA1HCACNA1BCACNA1C
SCHEMBL1997073 0.68 PPARG (0.48) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL5475672 0.67 RAF1 (0.39) CFTRRXFP1CACNA1HCACNA1BCACNA1C
SCHEMBL13064236 0.66 SSTR4 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL8572362 0.64 SLC13A3 (0.63) RXFP1GPR35MEN1KMT2A
SCHEMBL687306 0.64 RXFP1 (0.48) RXFP1CA12CA1CA2CA9
SCHEMBL27548762 0.64 GABRP (0.37) CFTRGABRPGABRDGABRA1GABRB1
SCHEMBL8574413 0.64 MAPT (0.57) RXFP1ALDH1A1GPR35

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 CFTR 1567/4885GABRP 331/4885GABRD 319/4885

“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.