SCHEMBL1361680

SCHEMBL1361680

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.44
PKM P14618 1/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GPR139 Q6DWJ6 1/20 0.42
CTSL P07711 1/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SLC6A9 P48067 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6156046 0.89 GPR88 (0.44) GPR88PKMCTSSCTSKMEN1
SCHEMBL1360814 0.86 MMP1 (0.45)
SCHEMBL2945634 0.85 MME (0.48) CTSSCTSKMEN1KMT2ACTSL
SCHEMBL1360839 0.84 TACR1 (0.41) CTSSCTSKMEN1KMT2AGPR139
SCHEMBL1362561 0.83 HPGD (0.56) GPR88CTSSCTSKGPR139CTSL
SCHEMBL1362526 0.83 CTSS (0.41) PKMCTSSCTSKMEN1KMT2A
SCHEMBL1362207 0.83 HTRA1 (0.44) CTSSCTSK
SCHEMBL13626170 0.81 PKM (0.51) GPR88PKMCTSSCTSKMEN1
SCHEMBL4813221 0.80 CTSS (0.57) GPR88CTSSCTSKCTSL
SCHEMBL5743853 0.79 MME (0.54) MEN1KMT2ALMNAPOLB

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 GPR88 724/4885PKM 3509/4885CTSS 3448/4885
US-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 GPR88 577/4885PKM 2379/4885CTSS 2430/4885
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives SLC10A2, SLC10A1, ABCB11 GPR88 1023/4885PKM 2822/4885CTSS 3193/4885

“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.