SCHEMBL2001815

SCHEMBL2001815

CC(C)(C)C(=O)ON[C@@H](CSc1cccc(Oc2ccccc2)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ ACE P12821 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GSTP1 P09211 2/20 0.33
▸ GSTM2 P28161 2/20 0.33
▸ ICMT O60725 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MME P08473 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL3157893 0.90 HPGD (0.36) MAPTACEALDH1A1L3MBTL1KDM4E
SCHEMBL12569236 0.86 MAPT (0.38) MAPTACEALDH1A1NPSR1KDM4E
SCHEMBL1999992 0.85 ACE (0.36) ACEALDH1A1NPSR1L3MBTL1ICMT
SCHEMBL1994816 0.84 ALDH1A1 (0.36) MAPTACEALDH1A1KDM4EGSTP1
SCHEMBL1993187 0.76 MTNR1A (0.34) MAPTACEALDH1A1KDM4EPPARG
SCHEMBL12569192 0.75 HPGD (0.42) MAPTALDH1A1L3MBTL1KDM4EGSTP1
SCHEMBL1999450 0.73 ALDH1A1 (0.39) MAPTALDH1A1NPSR1KDM4EHTT
SCHEMBL1997049 0.72 ITGB2 (0.34) ACEALDH1A1KDM4EPPARGPPARA
SCHEMBL945830 0.70 TLR4 (0.45) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL12569229 0.69 ACE (0.39) MAPTACENPSR1L3MBTL1KDM4E

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 MAPT 854/4885ACE 530/4885ALDH1A1 297/4885

“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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