SCHEMBL17668166

SCHEMBL17668166

CC(C)(C)OC(=O)Nc1ccc2sc(B(O)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MGLL Q99685 1/20 0.42
PSMB8 P28062 1/20 0.40
LEF1 Q9UJU2 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL16396248 0.82 HDAC1 (0.48) CA12CA1CA9PSMB8LEF1
SCHEMBL29469370 0.81 MGLL (0.39) MGLL
SCHEMBL16395811 0.78 PTPN2 (0.47) CA12CA1CA9LEF1
SCHEMBL28701306 0.77 HTR2C (0.50) CA12CA1CA9PSMB8LEF1
SCHEMBL2055341 0.77 CA1 (0.45) CA12CA1CA9PSMB8LEF1
SCHEMBL14554346 0.76 TRPV1 (0.62)
SCHEMBL4314672 0.76 CA12 (0.49) CA12CA1CA9PSMB8MAP4K4
SCHEMBL17668202 0.75 CA12 (0.42) CA12CA1CA9PSMB8LEF1
SCHEMBL14079744 0.74 LDHA (0.67)
SCHEMBL31736749 0.73 CA12 (0.53) CA12CA1CA9PSMB8MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075189-A Five-membered heterocyclic acene ring compound and preparation method and medical application thereof 南京柯菲平盛辉制药有限公司 2022-02-22 CN disclosed
US-20210115029-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2021-04-22 US disclosed
US-20210115029-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2021-04-22 US disclosed
US-10669265-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2020-06-02 US disclosed
US-10669265-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2020-06-02 US disclosed
US-10633373-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2020-04-28 US disclosed
US-10633373-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2020-04-28 US disclosed
US-20180111921-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2018-04-26 US disclosed
US-20180111921-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2018-04-26 US disclosed
US-20180111921-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2018-04-26 US disclosed
US-9868726-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2018-01-16 US disclosed
US-20170107210-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-04-20 US disclosed
US-20170107210-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-04-20 US disclosed
US-20170107210-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-04-20 US disclosed
US-9371314-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2016-06-21 US disclosed
US-9371314-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2016-06-21 US disclosed
US-9371314-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2016-06-21 US disclosed
US-20160102080-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-14 US disclosed
US-20160102080-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-14 US disclosed
US-20160102080-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-14 US 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-20160102080-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS PDXK, MAP4K5, MAP4K2 CA12 4882/4885CA1 4884/4885CA9 4665/4885
US-10633373-B2 Pyridyl benzothiophenes as kinase inhibitors PDXK, MAP4K5, MAP4K2 CA12 4882/4885CA1 4884/4885CA9 4665/4885
US-20180111921-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS PDXK, MAP4K5, MAP4K2 CA12 4882/4885CA1 4884/4885CA9 4665/4885
US-20170107210-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS PDXK, MAP4K5, MAP4K2 CA12 4882/4885CA1 4884/4885CA9 4665/4885
US-20210115029-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS PDXK, MAP4K5, MAP4K2 CA12 4882/4885CA1 4884/4885CA9 4665/4885
US-10669265-B2 Pyridyl benzothiophenes as kinase inhibitors PDXK, MAP4K5, MAP4K2 CA12 4882/4885CA1 4884/4885CA9 4665/4885

“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.