SCHEMBL6276114

SCHEMBL6276114

CCOC(=O)[C@@H](CCN[C@@H](C)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MMP8 P22894 1/20 0.47
GAA P10253 1/20 0.43
CASR P41180 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
PIN1 Q13526 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC22A1 O15245 1/20 0.40
APAF1 O14727 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL9773126 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL9363838 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL3840238 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL9773175 0.86 HSD17B10 (0.44) SMN1; SMN2MMP8CASRCYP1A2CYP2D6
SCHEMBL10603601 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MMP8GAACASRTDP1
SCHEMBL9773237 0.86 HSD17B10 (0.44) SMN1; SMN2MMP8CASRCYP1A2CYP2D6
SCHEMBL8640339 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL7257080 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MMP8GAACASRCYP1A2
SCHEMBL20113912 0.81 MMP8 (0.50) SMN1; SMN2MMP8GAACASRTDP1
SCHEMBL9363415 0.81 EPHX1 (0.49) SMN1; SMN2CASRCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018156892-A1 PEPTIDE INHIBITORS OF TRANSCRIPTION FACTOR AGGREGATION ADRX, INC. (US) 2018-08-30 WO disclosed
WO-2005121084-A1 A METHOD OF PREPARATION OF RAMIPRIL ZENTIVA, A. S. (CZ) 2005-12-22 WO disclosed
US-20020087007-A1 Process for preparing pharmacologically acceptable salt of N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-amino acid KANEKA CORPORATION (JP) 2002-07-04 US disclosed
EP-0719280-A1 PROCESS FOR THE PREPARATION OF COMPOUNDS HAVING ACE INHIBITORY ACTION AS WELL AS NOVEL COMPOUNDS USEFUL AS STARTING MATERIALS OR INTERMEDIATES IN SAID PROCESS LEK, tovarna farmacevtskih in kemicnih izdelkov, d.d. (SI) 1996-07-03 EP disclosed
WO-1996002564-A1 PROCESS FOR THE PREPARATION OF COMPOUNDS HAVING ACE INHIBITORY ACTION AS WELL AS NOVEL COMPOUNDS USEFUL AS STARTING MATERIALS OR INTERMEDIATES IN SAID PROCESS LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, D.D. (SI) 1996-02-01 WO disclosed
EP-0434560-B1 New derivatives of substituted aminoacids, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-01-26 EP disclosed
EP-0434560-A1 New derivatives of substituted aminoacids, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-06-26 EP disclosed
EP-0281393-A2 Method for producing indan derivatives Takeda Chemical Industries, Ltd. (JP) 1988-09-07 EP disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 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-20020087007-A1 Process for preparing pharmacologically acceptable salt of N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-amino acid SLC7A1, ASS1, ALDH7A1 SMN1; SMN2 496/4885MMP8 2984/4885GAA 812/4885

“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.