SCHEMBL4910504

SCHEMBL4910504

NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.60
SIRT2 Q8IXJ6 1/20 0.56
CASP1 P29466 6/20 0.55
CTSK P43235 3/20 0.50
TACR1 P25103 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTRB1 P17538 1/20 0.49

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
SCHEMBL4910499 1.00 CTSL (0.60) CTSLSIRT2CASP1CTSKTACR1
SCHEMBL8723888 0.92 SIRT2 (0.58) CTSLSIRT2CASP1CTSKMEN1
SCHEMBL6946904 0.90 CTSL (0.61) CTSLSIRT2CASP1CTSKTACR1
SCHEMBL1025916 0.90 CTSL (0.61) CTSLSIRT2CASP1CTSKTACR1
SCHEMBL20211867 0.90 CTSL (0.61) CTSLSIRT2CASP1CTSKTACR1
SCHEMBL11153005 0.90 CTSL (0.61) CTSLSIRT2CASP1CTSKTACR1
SCHEMBL30537759 0.90 CTSL (0.51) CTSLSIRT2CASP1CTSKMEN1
SCHEMBL8765287 0.89 CASP1 (0.57) CTSLCASP1CTSKTACR1MEN1
SCHEMBL11893028 0.89 FOLH1 (0.58) SIRT2CASP1CTSKTACR1
SCHEMBL7373019 0.89 FOLH1 (0.58) SIRT2CASP1CTSKTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090916-A1 2-Amino-4-[(1S,2R)-2-(2,5-dimethoxyphenyl)-2-hydroxy-1-methyl-ethylcarbamoyl]butyric acid, aka gamma-L-glutamyl-1R,2S-methoxamine; prodrug of 1R,2S-methoxamine that is converted within the kidney tubules into its active form; transdermal administration; coupling methoxamine with glutamic acid alcohol NORGINE EUROPE B.V. (NL) 2008-04-17 US disclosed
EP-1841728-A1 COMPOUNDS FOR TREATING URINARY INCONTINENCE Norgine Europe BV (NL) 2007-10-10 EP disclosed
WO-2006079809-A1 COMPOUNDS FOR TREATING URINARY INCONTINENCE NORGINE EUROPE BV (NL) 2006-08-03 WO disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP 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-20080090916-A1 2-Amino-4-[(1S,2R)-2-(2,5-dimethoxyphenyl)-2-hydroxy-1-methyl-ethylcarbamoyl]butyric acid, aka gamma-L-glutamyl-1R,2S-methoxamine; prodrug of 1R,2S-methoxamine that is converted within the kidney tubules into its active form; transdermal administration; coupling methoxamine with glutamic acid alcohol GLS, GLRB, CHRM1 CTSL 3348/4885SIRT2 1858/4885CASP1 3582/4885

“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.