SCHEMBL6308753

SCHEMBL6308753

[O]CC(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.34
SLC6A5 Q9Y345 1/20 0.33
FPR2 P25090 3/20 0.33
ALB P02768 1/20 0.32
IL2 P60568 1/20 0.32
P2RY14 Q15391 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
FOLH1 Q04609 2/20 0.32
ACE P12821 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32

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
SCHEMBL6308761 0.88 PIN1 (0.34) PIN1SLC6A5P2RY14TP53POLB
SCHEMBL29893883 0.88 PIN1 (0.34) PIN1SLC6A5P2RY14TP53POLB
SCHEMBL1666820 0.87 SLC15A2 (0.42) PIN1P2RY14POLB
SCHEMBL6425164 0.87 PIN1 (0.34) PIN1SLC6A5P2RY14TP53POLB
SCHEMBL28625900 0.87 KMT2A (0.42) PIN1SLC6A5P2RY14ITGB2ICAM1
SCHEMBL7782853 0.87 ACE (0.35) PIN1ACE
SCHEMBL4182507 0.87 PIN1 (0.47) PIN1SLC6A5P2RY14TP53POLB
SCHEMBL4182503 0.87 PIN1 (0.47) PIN1SLC6A5P2RY14TP53POLB
SCHEMBL7782845 0.87 ACE (0.35) PIN1ACE
SCHEMBL28625902 0.87 KMT2A (0.42) PIN1SLC6A5P2RY14ITGB2ICAM1

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 10 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-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 WO claimed
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 PIN1 4283/4885SLC6A5 95/4885FPR2 4346/4885

“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.