SCHEMBL5743243

SCHEMBL5743243

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.44
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ADAMTS4 O75173 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FPR2 P25090 1/20 0.39
SDCBP O00560 3/20 0.39
SDC2 P34741 3/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
HTRA1 Q92743 3/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5743929 0.91 FOLH1 (0.43) MMEFOLH1KMT2AATMNAALAD2
SCHEMBL5743934 0.91 FOLH1 (0.43) MMEFOLH1KMT2AATMNAALAD2
SCHEMBL5743248 0.89 MME (0.44) MMEFOLH1KMT2AATMADAMTS4
SCHEMBL5742216 0.89 MME (0.56) MMEKMT2AALDH1A1POLBHTRA1
SCHEMBL5743794 0.86 FOLH1 (0.46) MMEFOLH1KMT2AATMALDH1A1
SCHEMBL4812470 0.81 FOLH1 (0.47) MMEFOLH1KMT2AATMPOLB
SCHEMBL4808133 0.81 FOLH1 (0.54) MMEFOLH1KMT2AATMALDH1A1
SCHEMBL5743939 0.80 FOLH1 (0.43) MMEFOLH1KMT2AATMADAMTS4
SCHEMBL5743471 0.80 MME (0.50) MMEKMT2APOLBHTRA1
SCHEMBL5743468 0.80 MME (0.50) MMEKMT2APOLBHTRA1

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-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
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP claimed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO claimed
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 disclosed
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 disclosed
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
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 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 (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 2382/4885KMT2A 1598/4885

“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.