SCHEMBL1363689

SCHEMBL1363689

NC(=O)[C@H](NC(=O)CO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
TACR3 P29371 1/20 0.44
EPHX1 P07099 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
BCAT2 O15382 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
AURKB Q96GD4 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL13447506 0.86 CTSC (0.46) CNR2TACR3EPHX1GPR88BCAT2
SCHEMBL1363688 0.86 CNR2 (0.46) CNR2TACR3EPHX1GPR88BCAT2
SCHEMBL4805252 0.85 NAALAD2 (0.51) CNR2ALDH1A1KMT2AMAPK1LMNA
SCHEMBL2939034 0.85 NAALAD2 (0.51) CNR2ALDH1A1KMT2AMAPK1LMNA
SCHEMBL4566800 0.84 CNR2 (0.67) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL18196590 0.84 LMNA (0.50) CNR2TACR3EPHX1GPR88ALDH1A1
SCHEMBL12182395 0.84 LMNA (0.50) CNR2TACR3EPHX1GPR88ALDH1A1
SCHEMBL6156498 0.81 CTSS (0.41) TACR3BCAT2KMT2A
SCHEMBL4732145 0.81 LMNA (0.49) CNR2TACR3EPHX1GPR88BCAT2
SCHEMBL22502277 0.81 LMNA (0.49) CNR2TACR3EPHX1GPR88BCAT2

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 9 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
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US 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 (2 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-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 CNR2 867/4885TACR3 1734/4885EPHX1 927/4885
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives SLC10A2, SLC10A1, ABCB11 CNR2 1180/4885TACR3 2123/4885EPHX1 1140/4885

“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.