SCHEMBL1363693

SCHEMBL1363693

NC(=O)c1ccc(OCCNC(=O)[C@H](NC(=O)C[O])c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.52
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL6158850 0.91 PARP10 (0.52) PARP10ALDH1A1NPSR1NPC1RAB9A
SCHEMBL1360792 0.79 ALDH1A1 (0.50) ALDH1A1NPSR1HPGDSMN1; SMN2GPR88
SCHEMBL1362522 0.78 TACR1 (0.55) GPR88
SCHEMBL1362244 0.76 CYP3A4 (0.47) ALDH1A1
SCHEMBL6617399 0.75 ACE (0.46)
SCHEMBL1362526 0.75 CTSS (0.41) NPSR1SMN1; SMN2
SCHEMBL8268336 0.75 NPC1 (0.77) PARP10NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12502477 0.74 PARP10 (0.65) PARP10ALDH1A1NPC1RAB9AHPGD
SCHEMBL1363688 0.74 CNR2 (0.46) ALDH1A1NPSR1HPGDSMN1; SMN2GPR88
SCHEMBL1362561 0.73 HPGD (0.56) ALDH1A1NPSR1HPGDSMN1; SMN2GPR88

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 14 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 disclosed
US-8067584-B2 Benzothiazepine derivatives ALBIREO AB (SE) 2011-11-29 US disclosed
EP-1430040-B1 BENZOTHIAZEPINE DERIVATIVES ALBIREO AB (SE) 2009-08-05 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-7192946-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives ALBIREO AB (SE) 2006-05-04 US disclosed
EP-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP 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
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed
EP-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed
WO-2003020710-A1 BENZOTHIAZEPINE DERIVATIVES ASTRAZENECA AB (SE) 2003-03-13 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 (3 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 PARP10 4122/4885ALDH1A1 1675/4885NPSR1 716/4885
US-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 PARP10 3722/4885ALDH1A1 941/4885NPSR1 1475/4885
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives SLC10A2, SLC10A1, ABCB11 PARP10 3739/4885ALDH1A1 1730/4885NPSR1 1656/4885

“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.