SCHEMBL6843833

SCHEMBL6843833

CCC(C)(CBr)CCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 5/20 0.47
PTPN1 P18031 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR1 O14842 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL8157289 0.88 GPR84 (0.54) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9550376 0.88 GPR84 (0.54) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL16516194 0.88 GPR84 (0.54) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL19861334 0.83 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL19861423 0.83 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL7083635 0.83 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL20076554 0.81 AKR1B1 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL19861191 0.79 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9105131 0.79 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28898946 0.79 TDP1 (0.54) GPR84PPARGPPARDPPARAHDAC11

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 GPR84 833/4885PPARG 1806/4885PPARD 1029/4885
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 GPR84 670/4885PPARG 1374/4885PPARD 1167/4885

“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.