SCHEMBL6843835

SCHEMBL6843835

CCCCCC(=O)OC(C)(CC)CBr

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
DGKA P23743 1/20 0.44
MAPT P10636 2/20 0.42
PAM P19021 2/20 0.41
MAPK1 P28482 1/20 0.40
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
TSHR P16473 1/20 0.39
NAAA Q02083 2/20 0.38
DNM1 Q05193 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 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
SCHEMBL8157293 0.89 LMNA (0.52) LMNADGKAMAPTPAMMAPK1
SCHEMBL20918829 0.87 LMNA (0.55) LMNADGKAMAPTPAMMAPK1
SCHEMBL31332055 0.87 LMNA (0.55) LMNADGKAMAPTPAMMAPK1
SCHEMBL9550379 0.87 LMNA (0.55) LMNADGKAMAPTPAMMAPK1
SCHEMBL31620702 0.87 LMNA (0.55) LMNADGKAMAPTPAMMAPK1
SCHEMBL20919314 0.82 LMNA (0.50) LMNADGKAMAPTPAMMAPK1
SCHEMBL22092398 0.82 LMNA (0.50) LMNADGKAMAPTPAMMAPK1
SCHEMBL20918218 0.82 LMNA (0.50) LMNADGKAMAPTPAMMAPK1
SCHEMBL9101344 0.82 LMNA (0.50) LMNADGKAMAPTPAMMAPK1
SCHEMBL20918469 0.82 LMNA (0.50) LMNADGKAMAPTPAMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake PHARMACIA CORPORATION 2004-04-22 US disclosed
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake G.D. SEARLE LLC 2002-12-05 US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 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-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake SLC10A1, ABCB11, SLC10A2 LMNA 4425/4885DGKA 2275/4885MAPT 517/4885
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake SLC10A1, SLC10A2, ABCB11 LMNA 3151/4885DGKA 2601/4885MAPT 861/4885

“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.