SCHEMBL6880667

SCHEMBL6880667

CCOC(=O)c1cnc(O)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP1A2 P05177 2/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
HSD17B2 P37059 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2642000 0.86 CYP2C9 (0.53) CA12CA1CA2CA7CA9
SCHEMBL19779421 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8884857 0.82 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL12461092 0.82 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8091063 0.82 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5364037 0.82 LMNA (0.56) CA12CA1CA2CA7CA9
SCHEMBL18198247 0.82 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL829286 0.82 CYP2C9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL18198246 0.81 CYP2C9 (0.49) CA12CA1CA2CA7CA9
SCHEMBL16682652 0.81 CYP2C9 (0.49) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181277-A Chimeric compound for targeted degradation of androgen receptor protein, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-03-15 CN disclosed
US-20200030325-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof ACETYLON PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20170304279-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY CURIS INC (US) 2017-10-26 US disclosed
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-9657032-B2 Phosphoinositide 3-kinase inhibitor with a zinc binding moiety CURIS, INC. (US) 2017-05-23 US disclosed
US-20160375021-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-9512083-B2 Histone deacetylase 6 selective inhibitors for the treatment of bone disease THE GENERAL HOSPITAL CORPORATION (US) 2016-12-06 US disclosed
US-9512083-B2 Histone deacetylase 6 selective inhibitors for the treatment of bone disease THE GENERAL HOSPITAL CORPORATION (US) 2016-12-06 US disclosed
EP-3091004-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2016-11-09 EP disclosed
WO-2013013113-A2 HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2013-01-24 WO disclosed
US-20120190693-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof ACETYLON PHARMACEUTICALS, INC. 2012-07-26 US disclosed
US-20120190693-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof ACETYLON PHARMACEUTICALS, INC. 2012-07-26 US disclosed
US-20120083504-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof ACETYLON PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-20120083504-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof ACETYLON PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8148526-B1 Reverse amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARMACEUTICALS (US) 2012-04-03 US disclosed
US-8148526-B1 Reverse amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARMACEUTICALS (US) 2012-04-03 US disclosed
US-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-12-08 US disclosed
US-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-12-08 US disclosed
WO-2011091213-A2 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-07-28 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 (7 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-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 CA12 2330/4885CA1 1124/4885CA2 2050/4885
US-20160375021-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 CA12 2330/4885CA1 1124/4885CA2 2050/4885
US-20170304279-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY HDAC1, PI4KA, PDPK1 CA12 3954/4885CA1 2832/4885CA2 2719/4885
US-20200030325-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof HDAC6, HDAC1, HDAC3 CA12 2330/4885CA1 1124/4885CA2 2050/4885
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease HDAC1, HDAC6, HDAC9 CA12 2799/4885CA1 2106/4885CA2 2034/4885
US-20120190693-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof HDAC6, HDAC1, HDAC3 CA12 2330/4885CA1 1124/4885CA2 2050/4885
US-20120083504-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof HDAC6, HDAC1, HDAC3 CA12 2330/4885CA1 1124/4885CA2 2050/4885

“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.