SCHEMBL5744082

SCHEMBL5744082

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.57
FOLH1 Q04609 1/20 0.50
MMP9 P14780 4/20 0.49
MMP14 P50281 3/20 0.49
MMP2 P08253 3/20 0.49
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.49
LTA4H P09960 2/20 0.47
ANPEP P15144 1/20 0.47
MMP8 P22894 1/20 0.46
MMP7 P09237 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
NTSR1 P30989 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5744079 0.89 MME (0.57) MMEFOLH1MMP9MMP14MMP2
SCHEMBL5743858 0.86 MME (0.54) MMELMNA
SCHEMBL4811683 0.86 MME (0.49) MME
SCHEMBL5743746 0.84 MME (0.46) MME
SCHEMBL5743907 0.84 NAALAD2 (0.46) MMELTA4H
SCHEMBL5744039 0.84 MME (0.46) MME
SCHEMBL5743711 0.83 MME (0.54) MMEMMP9MMP14MMP2MMP1
SCHEMBL5741889 0.82 MME (0.47) MMELMNA
SCHEMBL5741692 0.81 ALDH1A1 (0.47) MMEALDH1A1
SCHEMBL5743698 0.81 MME (0.51) MMEMMP9MMP14MMP2MMP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP claimed
EP-1427423-B1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2006-12-27 EP claimed
US-7132416-B2 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibotory activity for the treatment hyperlipidaemia ASTRAZENECA AB (SE) 2006-11-07 US claimed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 US claimed
US-7132416-B2 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibotory activity for the treatment hyperlipidaemia ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 US 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-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 MME 1556/4885FOLH1 2382/4885MMP9 1238/4885

“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.