SCHEMBL5422657

SCHEMBL5422657

[O]CC(=O)N[C@@H](C(=O)NCCc1cc(O)c(O)c(O)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.44
GLI1 P08151 2/20 0.43
GLI2 P10070 2/20 0.43
POLB P06746 1/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
TACR3 P29371 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL5422667 0.90 TACR1 (0.44) TACR1GLI1GLI2POLBF10
SCHEMBL1362522 0.80 TACR1 (0.55) TACR1F10PRSS1TACR3
SCHEMBL1362504 0.80 CA2 (0.58) TAAR1
SCHEMBL1362244 0.79 CYP3A4 (0.47) TACR1F10PRSS1TACR3KDM4E
SCHEMBL6617399 0.78 ACE (0.46)
SCHEMBL1360792 0.75 ALDH1A1 (0.50) KDM4EALDH1A1LMNA
SCHEMBL2945634 0.74 MME (0.48) ALDH1A1
SCHEMBL5741002 0.74 CNR1 (0.39) TACR1TACR3KDM4EALDH1A1
SCHEMBL1360820 0.74 TAAR1 (0.60) POLBTAAR1
SCHEMBL28170783 0.73 POLB (0.59) POLB

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
EP-1501813-B1 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ALBIREO AB (SE) 2013-08-14 EP claimed
US-7238684-B2 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2007-07-03 US claimed
US-20050143368-A1 Chemical compounds ALBIREO AB (SE) 2005-06-30 US claimed
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP claimed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO claimed
EP-1501813-B1 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ALBIREO AB (SE) 2013-08-14 EP disclosed
US-7238684-B2 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-20050143368-A1 Chemical compounds ALBIREO AB (SE) 2005-06-30 US disclosed
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 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-20050143368-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 TACR1 234/4885GLI1 3956/4885GLI2 3739/4885

“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.