Sugi Predict

Sugi Predict / Compounds / SCHEMBL463524

SCHEMBL463524

SCHEMBL463524

CC(=O)N1CCC[C@@H](C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CPN1 P15169 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ PLAT P00750 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRNB2 P17787 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
SCHEMBL20082953 1.00 EPHX2 (0.40) EPHX2EPHX1CPN1CPB2CA1
SCHEMBL7883654 1.00 EPHX2 (0.40) EPHX2EPHX1CPN1CPB2CA1
SCHEMBL14519159 0.94 EPHX2 (0.42) EPHX2EPHX1HPGDSIGMAR1PIK3CD
SCHEMBL21859915 0.88 EPHX2 (0.46) EPHX2EPHX1CA1CA2CA12
SCHEMBL15837592 0.88 PIK3CD (0.38) EPHX2EPHX1CPN1CPB2ALDH1A1
SCHEMBL679537 0.88 PIK3CD (0.38) EPHX2EPHX1CPN1CPB2ALDH1A1
SCHEMBL15837591 0.88 PIK3CD (0.38) EPHX2EPHX1CPN1CPB2ALDH1A1
SCHEMBL29337224 0.85 CPN1 (0.40) EPHX2EPHX1CPN1CPB2CA1
SCHEMBL20738587 0.85 EPHX2 (0.38) EPHX2EPHX1CPN1CPB2CA1
SCHEMBL20825722 0.85 ACE (0.36) EPHX2CPN1CPB2HPGDSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 — — WO disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 — — US disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 — — US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 — — US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 — — US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 — — US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 — — US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 — — US disclosed
US-20130035334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-02-07 — — US disclosed
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — US disclosed
US-20120329130-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-12-27 — — US disclosed
US-20120202264-A1 INHIBITORS OF IL2-INDUCIBLE T-CELL KINASE PHARMACYCLICS, INC. (US) 2012-08-09 — — US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 — — US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 — — US disclosed
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 — — US disclosed
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2011-09-15 — — US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 — — 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 (9 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-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC EPHX2 2445/4885EPHX1 2645/4885CPN1 1985/4885
US-20130035334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EPHX2 2811/4885EPHX1 2829/4885CPN1 1462/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK EPHX2 1019/4885EPHX1 796/4885CPN1 3742/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EPHX2 2811/4885EPHX1 2829/4885CPN1 1462/4885
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EPHX2 2811/4885EPHX1 2829/4885CPN1 1462/4885
US-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC EPHX2 2587/4885EPHX1 2767/4885CPN1 2179/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EPHX2 2811/4885EPHX1 2829/4885CPN1 1462/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN EPHX2 3534/4885EPHX1 3091/4885CPN1 2715/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EPHX2 2811/4885EPHX1 2829/4885CPN1 1462/4885

“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.