SCHEMBL20568239

SCHEMBL20568239

CC(=O)OCc1cc(Oc2ccc(C#N)cc2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE1A P54750 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
PTGER4 P35408 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 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
SCHEMBL1232020 0.89 CYP3A4 (0.35) PDE4BPTGER4MAPTKDM4ETDP2
SCHEMBL16586412 0.85 MAPT (0.36) PTGER4MAPTRAB9AKMT2AALDH1A1
SCHEMBL20299566 0.84 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2177649 0.83 KMT2A (0.34) PTGER4MAPTKDM4EKMT2AALDH1A1
SCHEMBL23030349 0.82 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL28628153 0.82 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL1233222 0.82 CYP3A4 (0.35) PTGER4MAPTKDM4ETDP2ALDH1A1
SCHEMBL10268586 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10268604 0.79 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL23080105 0.78 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DCHRM1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215765-A Preparation method of kreb polymer impurity 湖北丽益医药科技有限公司 2022-10-21 CN claimed
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2020-12-15 US claimed
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US claimed
CN-115215765-A Preparation method of kreb polymer impurity 湖北丽益医药科技有限公司 2022-10-21 CN disclosed
CN-115215765-A Preparation method of kreb polymer impurity 湖北丽益医药科技有限公司 2022-10-21 CN disclosed
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-04-20 US disclosed
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-04-20 US disclosed
CN-108047261-B Preparation method of clitorium 苏州旺山旺水生物医药有限公司 2020-12-18 CN disclosed
CN-108047261-B Preparation method of clitorium 苏州旺山旺水生物医药有限公司 2020-12-18 CN disclosed
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2020-12-15 US disclosed
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2020-12-15 US disclosed
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US disclosed
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US disclosed
US-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD., (IN) 2020-02-27 US disclosed
US-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD., (IN) 2020-02-27 US disclosed
WO-2018216032-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-11-29 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-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof CYP1B1, CYP4B1, CYP1A1 PDE4B 2000/4885PDE4A 2884/4885PDE4C 3873/4885
US-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) CYP4B1, CYP8B1, CYP4X1 PDE4B 1419/4885PDE4A 3530/4885PDE4C 3432/4885
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF CYP1B1, CYP4B1, CYP1A1 PDE4B 2000/4885PDE4A 2884/4885PDE4C 3873/4885
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) CYP4B1, CYP8B1, SQLE PDE4B 1665/4885PDE4A 3744/4885PDE4C 3658/4885

“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.