SCHEMBL6843670

SCHEMBL6843670

CCCCC1(CCCC)CN(c2ccc(OC)cc2)c2cc(F)ccc2S(=O)(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 15/20 0.46
GRM2 Q14416 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
DPP4 P27487 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6838900 0.86 SLC10A2 (0.52) SLC10A2
SCHEMBL27118576 0.82 SLC10A2 (0.42) SLC10A2GRM2MAPT
SCHEMBL8026044 0.82 SLC10A2 (0.48) SLC10A2
SCHEMBL21585979 0.82 SLC10A2 (0.39) SLC10A2GRM2MAPT
SCHEMBL30728273 0.82 SLC10A2 (0.42) SLC10A2GAAMAPT
SCHEMBL22286586 0.82 SLC10A2 (0.39) SLC10A2
SCHEMBL29384063 0.82 SLC10A2 (0.39) SLC10A2
SCHEMBL22286438 0.82 SLC10A2 (0.39) SLC10A2
SCHEMBL26986042 0.82 SLC10A2 (0.42) SLC10A2GAAMAPT
SCHEMBL5228173 0.81 SLC10A2 (0.42) SLC10A2GRM2GAAMAPT

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 SLC10A2 3/4885GRM2 1229/4885PDE4A 3244/4885
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 SLC10A2 2/4885GRM2 835/4885PDE4A 2649/4885

“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.