SCHEMBL6000745

SCHEMBL6000745

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4ncc(C(C)(C)C)s4)n3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 1.00
PTPN1 P18031 1/20 1.00
ALOX5 P09917 3/20 0.40
MMP13 P45452 13/20 0.39
MMP2 P08253 5/20 0.39
MMP1 P03956 3/20 0.39
MMP9 P14780 3/20 0.39
FFAR1 O14842 2/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6000707 0.89 PTPN2 (0.81) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL6000753 0.88 PTPN2 (0.79) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL6000799 0.88 PTPN1 (0.79) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6001017 0.87 PTPN2 (0.76) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL5999110 0.87 PTPN2 (0.76) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL6000062 0.87 PTPN2 (0.76) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL6000222 0.86 PTPN1 (0.76) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL6000783 0.85 PTPN2 (0.75) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL5999202 0.83 PTPN2 (0.71) PTPN2PTPN1ALOX5MMP13MMP2
SCHEMBL6000857 0.83 PTPN2 (0.71) PTPN2PTPN1ALOX5MMP13MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20260146032-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2026-05-28 US disclosed
US-20250333390-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2025-10-30 US disclosed
US-20250326728-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2025-10-23 US disclosed
EP-4347575-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2025-07-23 EP disclosed
US-12365658-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2025-07-22 US disclosed
EP-4551562-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2025-05-14 EP disclosed
CN-119977993-A Solid forms of thienopyrimidinedione ACC inhibitors and methods of making the same 吉利德阿波罗公司 2025-05-13 CN disclosed
CN-114269745-B Heteroaryl substituted pyrazolopyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2025-04-22 CN disclosed
US-12264158-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2025-04-01 US disclosed
CN-114269745-A Heteroaryl substituted pyrazolopyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2022-04-01 CN disclosed
US-11279710-B2 Processes for preparing ACC inhibitors and solid forms thereof GILEAD SCIENCES, INC. (US) 2022-03-22 US disclosed
US-11267794-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-03-08 US disclosed
US-20220064181-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF GILEAD APOLLO, LLC 2022-03-03 US disclosed
US-20220041567-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2022-02-10 US disclosed
WO-2022029101-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2022-02-10 WO disclosed
US-20220041568-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2022-02-10 US disclosed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (11 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-11267794-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 PTPN2 1919/4885PTPN1 1776/4885ALOX5 1094/4885
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN2 11/4885PTPN1 2/4885ALOX5 1693/4885
US-20250333390-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 PTPN2 1972/4885PTPN1 1730/4885ALOX5 931/4885
US-20220041568-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 PTPN2 1974/4885PTPN1 1707/4885ALOX5 930/4885
US-20250326728-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 PTPN2 2571/4885PTPN1 2706/4885ALOX5 1083/4885
US-11279710-B2 Processes for preparing ACC inhibitors and solid forms thereof ACACA, ACACB, ACAT2 PTPN2 3988/4885PTPN1 3481/4885ALOX5 1500/4885
US-20220064181-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF ACACA, ACACB, COASY PTPN2 3678/4885PTPN1 3458/4885ALOX5 504/4885
US-12365658-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 PTPN2 1972/4885PTPN1 1730/4885ALOX5 931/4885
US-20220041567-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 PTPN2 1919/4885PTPN1 1776/4885ALOX5 1094/4885
US-12264158-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 PTPN2 1441/4885PTPN1 1272/4885ALOX5 4021/4885
US-20260146032-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A2, SLC10A1, SLC5A2 PTPN2 1455/4885PTPN1 1926/4885ALOX5 1251/4885

“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.