SCHEMBL2001885

SCHEMBL2001885

CC(C)(C)C(=O)ON[C@@H](CSc1c(N)cccc1-c1cccc(C#N)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ CHRM3 P20309 1/20 0.35
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ PDCD1 Q15116 4/20 0.33
▸ CD274 Q9NZQ7 4/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ GRK6 P43250 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
SCHEMBL1999224 0.88 NPSR1 (0.34) PDCD1CD274
SCHEMBL1995752 0.87 PDCD1 (0.40) PTGDR2CNR2SLC22A12HPGDSCHRM3
SCHEMBL12569158 0.85 PTGDR2 (0.39) PTGDR2SLC22A12HPGDSFNTAFNTB
SCHEMBL1999450 0.73 ALDH1A1 (0.39) ADAMTS4PDCD1CD274
SCHEMBL12569156 0.72 PDCD1 (0.42) PTGDR2SLC22A12FNTAFNTBADAMTS4
SCHEMBL12569145 0.70 ALDH1A1 (0.38) ADAMTS4PDCD1CD274
SCHEMBL1997049 0.68 ITGB2 (0.34) —
SCHEMBL1993187 0.68 MTNR1A (0.34) —
SCHEMBL15564582 0.64 PPARA (0.56) —
SCHEMBL396202 0.62 ADRA2C (0.59) ADRA2C

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 3 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
EP-2029596-B1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2010-02-24 — — EP 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 PTGDR2 285/4885CNR2 38/4885SLC22A12 2162/4885

“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.

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