SCHEMBL6314356

SCHEMBL6314356

CC(C)C(NC(=O)CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 4/20 0.46
SDCBP O00560 3/20 0.46
SDC2 P34741 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PLA2G2A P14555 1/20 0.44
PLA2G5 P39877 1/20 0.44
MBTPS1 Q14703 1/20 0.43
EPHX2 P34913 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
FPR2 P25090 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
SCHEMBL15231611 1.00 NPSR1 (0.50) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
Carbamic Acid SCHEMBL1517293 0.94 NPSR1 (0.46) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
Carbamic Acid SCHEMBL1517234 0.94 NPSR1 (0.46) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL31240964 0.86 NPSR1 (0.44) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL1997638 0.84 MME (0.41) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL4550632 0.84 MME (0.41) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL1997636 0.84 MME (0.41) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL4182518 0.82 ALDH1A1 (0.50) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL6314347 0.82 NPSR1 (0.50) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL28220838 0.82 NPSR1 (0.50) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906058-B2 1,5-Benzothiazepines and their use as hypolipidaemics ASTRAZENECA AB (SE) 2005-06-14 US claimed
EP-1263747-B1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2004-11-24 EP claimed
US-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics ALBIREO AB (SE) 2003-09-04 US claimed
EP-2820038-B1 GLP-1 PRODRUGS NOVO NORDISK AS (DK) 2020-06-17 EP disclosed
US-9452225-B2 GLP-1 prodrugs NOVO NORDISK A/S (DK) 2016-09-27 US disclosed
US-20150045281-A1 GLP-1 PRODRUGS Novo Nordisk A/S a corporation 2015-02-12 US disclosed
CN-104185639-A GLP-1 prodrugs NOVO NORDISK AS 2014-12-03 CN disclosed
US-6906058-B2 1,5-Benzothiazepines and their use as hypolipidaemics ASTRAZENECA AB (SE) 2005-06-14 US disclosed
EP-1263747-B1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2004-11-24 EP disclosed
US-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics ALBIREO AB (SE) 2003-09-04 US disclosed
EP-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 WO 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 (2 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-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics SLC10A2, SLC10A1, LCAT NPSR1 1594/4885ALDH1A1 811/4885SDCBP 4266/4885
US-20150045281-A1 GLP-1 PRODRUGS GLP1R, SLC5A1, DPP8 NPSR1 1484/4885ALDH1A1 222/4885SDCBP 4550/4885

“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.