SCHEMBL6201439

SCHEMBL6201439

CCCCC(CCCC)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
FDPS P14324 1/20 0.41
RECQL P46063 1/20 0.40
CA2 P00918 3/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
MMP1 P03956 4/20 0.38
MMP7 P09237 4/20 0.38
MMP12 P39900 4/20 0.38
MMP13 P45452 4/20 0.38
ACE P12821 2/20 0.38
ECE1 P42892 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DPP7 Q9UHL4 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DNM1 Q05193 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL28253234 0.97 TP53 (0.45) TP53FDPSRECQLCA2MAPK1
SCHEMBL23888116 0.95 TP53 (0.54) TP53FDPSCA2CA1DPP7
SCHEMBL4350716 0.95 TP53 (0.43) TP53FDPSRECQLCA2MAPK1
SCHEMBL3189532 0.93 TP53 (0.52) TP53FDPSCA2CA1DNM1
SCHEMBL27804635 0.93 TP53 (0.52) TP53FDPSCA2CA1DNM1
SCHEMBL237017 0.93 TP53 (0.42) TP53FDPSRECQLCA2MAPK1
SCHEMBL9011849 0.93 TP53 (0.52) TP53FDPSCA2CA1DNM1
SCHEMBL11254235 0.93 TP53 (0.52) TP53FDPSCA2CA1DNM1
SCHEMBL7612076 0.92 TP53 (0.56) TP53FDPSCA2CA1SMN1; SMN2
SCHEMBL16370237 0.91 TP53 (0.45) TP53FDPSRECQLCA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262277-B1 IN MEDICINE FOR PROPHYLAXIS AND THERAPY OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA, IN MAMMALS G.D. SEARLE AND COMPANY 2001-07-17 US claimed
CN-108886175-B Silicon-based solid electrolyte for rechargeable batteries 巴斯夫公司 2022-08-02 CN disclosed
US-6943189-B2 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG CO-A reductase inhibitors G.D. SEARLE & CO. (US) 2005-09-13 US disclosed
EP-0888333-B1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE SEARLE LLC (US) 2005-08-31 EP disclosed
EP-1448546-A4 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE SEARLE LLC (US) 2005-02-02 EP disclosed
US-20040204478-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake G.D. SEARLE & COMPANY 2004-10-14 US disclosed
EP-1466911-A2 Preparation of benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake G.D. Searle & Co. (US) 2004-10-13 EP disclosed
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC 2004-09-09 US disclosed
US-6784201-B2 FOR PROPHYLAXIS AND TREATMENT OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA G.D. SEARLE & COMPANY 2004-08-31 US disclosed
EP-1448546-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. Searle LLC (US) 2004-08-25 EP disclosed
CN-1221414-A Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SEARLE & CO (US) 1999-06-30 CN disclosed
EP-0888333-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. Searle & Co. (US) 1999-01-07 EP disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed
WO-1997033882-A9 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE 1998-02-26 WO disclosed
WO-1997033882-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE AND CO. (US) 1997-09-18 WO disclosed
EP-0083084-B1 POLYMER MOULDING COMPOSITION CONTAINING A FILLER, PROCESS FOR ITS PREPARATION AND ITS USE HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-16 EP disclosed
US-4456710-A ALKALI OR ALKALINE EARTH METAL ORGANIC SULFONATES AS ADHESION PROMOTERS; DISCOLORATION INHIBITION; ACETAL RESINS HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
EP-0083084-A2 Polymer moulding composition containing a filler, process for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-06 EP disclosed
US-4307009-A POLYOLEFIN, ALKALINE EARTH CARBONATE, ALKYL OR ALKENYL SULFONIC ACID OR ETHER SULFATE HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
EP-0017038-A1 Polymeric moulding compounds containing fillers and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-15 EP 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-20040204478-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SLC10A2, SLC10A1, ABCB11 TP53 4748/4885FDPS 733/4885RECQL 1990/4885
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 TP53 4464/4885FDPS 476/4885RECQL 1982/4885

“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.