SCHEMBL1244829

SCHEMBL1244829

CCCCC(CC)(CBr)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 3/20 0.33
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
FFAR1 O14842 2/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2846893 1.00 FDPS (0.36) FDPSCYP4F2CYP4A11ALDH1A1AKR1B1
SCHEMBL12196377 1.00 FDPS (0.36) FDPSCYP4F2CYP4A11ALDH1A1AKR1B1
SCHEMBL6843155 0.91 AKR1B1 (0.36) ALDH1A1AKR1B1GPR84FFAR1PPARG
SCHEMBL22286374 0.87 MEN1 (0.33) FDPSALDH1A1MEN1KMT2A
SCHEMBL28125208 0.87 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1AKR1B1GPR84
SCHEMBL120634 0.87 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1AKR1B1GPR84
SCHEMBL392507 0.87 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1AKR1B1GPR84
SCHEMBL9645707 0.86 CYP4F2 (0.34) FDPSCYP4F2CYP4A11ALDH1A1AKR1B1
SCHEMBL680541 0.85 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1AKR1B1GPR84
SCHEMBL8921783 0.85 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1AKR1B1GPR84

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188541-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-12-25 EP disclosed
CN-118834175-A Benzothiazacycloalkanes Heptatriene compounds use thereof as bile acid modulators 阿尔比里奥公司 2024-10-25 CN disclosed
CN-114786773-B Benzothiazaheterocycles Heptatriene compounds and their use as bile acid modulators 阿尔比里奥公司 2024-10-18 CN disclosed
CN-114761080-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
CN-113453753-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
CN-112449637-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-03-19 CN disclosed
US-11891368-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-02-06 US disclosed
EP-4069361-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-03 EP disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
US-20040147774-A1 Novel chiral compounds derived from hexanoic acid esters, preparation process and intermediates, use in the synthesis of chiral 2-(bromomethyl)-2-ethylhexanoic acid AVENTIS PHARMA S.A. (FR) 2004-07-29 US disclosed
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
US-6465451-B1 Hypolipidemic benzothiazepine compounds SMITHKLINE BEECHAM CORPORATION 2002-10-15 US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 WO disclosed
EP-1045840-A1 HYPOLIPIDEMIC BENZOTHIAZEPINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2000-10-25 EP disclosed
EP-0792268-B1 HYPOLIPIDEMIC BENZOTHIAZEPINES WELLCOME FOUND (GB) 2000-02-23 EP disclosed
US-5998400-A Hypolipidemic benzothiazepines GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1999035135-A1 HYPOLIPIDEMIC BENZOTHIAZEPINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 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 (6 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-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 FDPS 1296/4885CYP4F2 450/4885CYP4A11 175/4885
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 FDPS 1296/4885CYP4F2 450/4885CYP4A11 175/4885
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 FDPS 1791/4885CYP4F2 373/4885CYP4A11 222/4885
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 FDPS 2843/4885CYP4F2 307/4885CYP4A11 212/4885
US-20040147774-A1 Novel chiral compounds derived from hexanoic acid esters, preparation process and intermediates, use in the synthesis of chiral 2-(bromomethyl)-2-ethylhexanoic acid HCAR2, FFAR2, HCAR3 FDPS 307/4885CYP4F2 327/4885CYP4A11 97/4885
US-11891368-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 FDPS 1621/4885CYP4F2 1041/4885CYP4A11 458/4885

“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.