SCHEMBL4919342

SCHEMBL4919342

NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.56
ECE1 P42892 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTSK P43235 5/20 0.54
CTSL P07711 2/20 0.52
TACR1 P25103 2/20 0.51
CASP1 P29466 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL4919347 1.00 MME (0.56) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL29682481 1.00 MME (0.56) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL28993693 1.00 MME (0.56) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL10663912 0.93 MME (0.55) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL3629055 0.92 SMN1; SMN2 (0.60) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL10664753 0.92 SMN1; SMN2 (0.60) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL13439529 0.92 SMN1; SMN2 (0.60) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL10192703 0.92 KYNU (0.58) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL2083704 0.92 KYNU (0.58) MMEECE1SMN1; SMN2CTSKCTSL
SCHEMBL10074198 0.92 KYNU (0.58) MMEECE1SMN1; SMN2CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655398-B1 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT BTG INT LTD (GB) 2016-08-24 EP claimed
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-0716658-B1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AG (DE) 1997-06-04 EP disclosed
EP-0716658-A1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AG (DE) 1996-06-19 EP disclosed
WO-1995006654-A1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AKTIENGESELLSCHAFT (DE) 1995-03-09 WO disclosed
EP-0639560-A1 Asymmetrically substituted diaminodicarboxylic acid derivatives and process for their preparation Hafslund Nycomed Pharma AG (AT) 1995-02-22 EP disclosed
US-4975418-A Therapeutically active compositions of pseudo-peptide of glutamyl-aspartic acid CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIC (CNRS) (FR) 1990-12-04 US disclosed
US-4324743-A Method of preparing gamma-L-glutamyl taurine CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-04-13 US disclosed
US-4324743-A Method of preparing gamma-L-glutamyl taurine CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-04-13 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-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 MME 1160/4885ECE1 1541/4885SMN1; SMN2 1194/4885

“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.