SCHEMBL6307129

SCHEMBL6307129

CC(C(=O)O)C(NC(=O)C[O])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SDCBP O00560 3/20 0.35
SDC2 P34741 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MBTPS1 Q14703 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
FPR2 P25090 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
EPHX2 P34913 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL6314347 0.84 NPSR1 (0.50) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL6308358 0.83 MME (0.41) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL24837506 0.81 ALDH1A1 (0.41) NPSR1ALDH1A1SDCBPSDC2SMN1; SMN2
SCHEMBL6307436 0.79 ALDH1A1 (0.61) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL4811726 0.75 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4811341 0.75 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6309635 0.75 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6429110 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PLA2G2APLA2G5L3MBTL1
SCHEMBL9830441 0.74 FAAH (0.62) ALDH1A1SMN1; SMN2PLA2G2APLA2G5MEN1
SCHEMBL9830435 0.74 FAAH (0.62) ALDH1A1SMN1; SMN2PLA2G2APLA2G5MEN1

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 5 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 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 (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-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics SLC10A2, SLC10A1, LCAT NPSR1 1594/4885ALDH1A1 811/4885SDCBP 4266/4885

“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.