SCHEMBL5058622

SCHEMBL5058622

COC(=O)c1ccc(CBr)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA7 P43166 3/20 0.61
CA9 Q16790 3/20 0.61
CA14 Q9ULX7 3/20 0.61
PDK2 Q15119 1/20 0.61
PDK4 Q16654 1/20 0.61
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 2/20 0.50
MYC P01106 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
EGFR P00533 2/20 0.47
MEN1 O00255 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
SCHEMBL27658218 0.87 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1022658 0.86 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL17201140 0.86 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL29943277 0.86 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1100762 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL6289032 0.83 CYP4F2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL1165530 0.83 GAA (0.62) CA12CA1CA2CA7CA9
SCHEMBL12857040 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4686032 0.83 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL29775267 0.83 ALDH1A1 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024199069-A1 POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
EP-3483149-B1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME YUHAN CORP (KR) 2021-01-13 EP disclosed
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same YUHAN CORPORATION (KR) 2019-08-20 US disclosed
CN-106232584-B As 6 inhibitor of histone deacetylase new compound and include its pharmaceutical composition 株式会社钟根堂 2019-06-28 CN disclosed
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same YUHAN CORPORATION (KR) 2019-05-16 US disclosed
EP-3483149-A1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Yuhan Corporation (KR) 2019-05-15 EP disclosed
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 US disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 EP disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 US disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 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 (4 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 CA12 2685/4885CA1 661/4885CA2 1790/4885
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same ILK, SBDS, BDKRB1 CA12 4569/4885CA1 4647/4885CA2 2813/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 CA12 4569/4885CA1 4647/4885CA2 2813/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 CA12 1792/4885CA1 437/4885CA2 1695/4885

“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.