SCHEMBL1363046

SCHEMBL1363046

CN(C)NS(=O)(=O)CCNC(=O)CNC(=O)[C@H](NC(=O)C[O])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
CTSL P07711 1/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
ALOX15 P16050 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
TACR1 P25103 2/20 0.33
TACR3 P29371 2/20 0.33

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
SCHEMBL1360846 0.93 GPR88 (0.38) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL1360839 0.81 TACR1 (0.41) MEN1KMT2AATMCTSSCTSK
SCHEMBL1361680 0.78 GPR88 (0.44) MEN1KMT2AATMCTSSCTSK
SCHEMBL1362561 0.78 HPGD (0.56) CTSSCTSKCTSLGPR139GPR88
SCHEMBL5741002 0.77 CNR1 (0.39) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL1360814 0.75 MMP1 (0.45)
SCHEMBL2945634 0.75 MME (0.48) MEN1KMT2AATMCTSSCTSK
SCHEMBL1360820 0.74 TAAR1 (0.60) MEN1KMT2ANPC1
SCHEMBL6158915 0.73 GPR88 (0.35) MEN1KMT2AATMGPR88TACR1
SCHEMBL1362526 0.72 CTSS (0.41) MEN1KMT2AATMCTSSCTSK

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
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
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-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 MEN1 2147/4885KMT2A 2828/4885ATM 4587/4885
US-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 MEN1 2732/4885KMT2A 1489/4885ATM 4105/4885
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives SLC10A2, SLC10A1, ABCB11 MEN1 2612/4885KMT2A 1244/4885ATM 3640/4885

“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.