SCHEMBL4045822

SCHEMBL4045822

CC(C)CC(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
CTSK P43235 3/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL4039499 0.92 CTSK (0.35) ALDH1A1GAACTSKKMT2APKM
SCHEMBL4039943 0.91 POLB (0.35) KDM4EALDH1A1GAACTSKKMT2A
SCHEMBL4040674 0.90 POLB (0.37) KDM4ECYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL4040595 0.89 CTSK (0.34) ALDH1A1GAACTSKKMT2APKM
SCHEMBL4042824 0.89 KDM4E (0.40) KDM4ECYP2C9CYP2C19ALDH1A1GAA
SCHEMBL4043419 0.87 CTSK (0.33) CTSK
SCHEMBL4040117 0.85 CTSK (0.32) CTSK
SCHEMBL4043889 0.83 KDM4E (0.41) KDM4ECYP2C9CYP2C19GAACTSK
SCHEMBL4041828 0.83 CTSK (0.35) KDM4EALDH1A1GAACTSKKMT2A
SCHEMBL6209026 0.82 KDM4E (0.40) KDM4ECYP2C9CYP2C19ALDH1A1GAA

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
US-11596593-B2 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY (US) 2023-03-07 US disclosed
US-20210137815-A1 Oral Care Composition with Cross-Linked Polymer Peroxide COLGATE-PALMOLIVE COMPANY (US) 2021-05-13 US disclosed
US-10959936-B2 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY (US) 2021-03-30 US disclosed
US-20200345615-A1 Oral Care Composition with Cross-Linked Polymer Peroxide COLGATE-PALMOLIVE COMPANY (US) 2020-11-05 US disclosed
US-10758472-B2 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY (US) 2020-09-01 US disclosed
US-20180333346-A1 Oral Care Composition with Cross-Linked Polymer Peroxide COLGATE-PALMOLIVE COMPANY (US) 2018-11-22 US disclosed
US-9895304-B2 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY (US) 2018-02-20 US disclosed
US-20170049680-A1 ORAL CARE COMPOSITION WITH CROSS-LINKED POLYMER PEROXIDE COLGATE PALMOLIVE CO (US) 2017-02-23 US disclosed
US-9517194-B2 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY (US) 2016-12-13 US disclosed
EP-1781380-B1 ORAL CARE COMPOSITION WITH CROSS-LINKED POLYMER PEROXIDE COLGATE PALMOLIVE CO (US) 2009-01-07 EP disclosed
US-20080145321-A1 ORAL CARE COMPOSITION WITH CROSS-LINKED POLYMER PEROXIDE COLGATE-PALMOLIVE COMPANY (US) 2008-06-19 US disclosed
CN-101005879-A Oral care compositions with cross-linked polymer peroxides COLGATE PALMOLIVE CO (US) 2007-07-25 CN disclosed
EP-1781380-A1 ORAL CARE COMPOSITION WITH CROSS-LINKED POLYMER PEROXIDE Colgate-Palmolive Company (US) 2007-05-09 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
WO-2006026424-A1 ORAL CARE COMPOSITION WITH CROSS-LINKED POLYMER PEROXIDE COLGATE-PALMOLIVE COMPANY (US) 2006-03-09 WO disclosed
US-20060045854-A1 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY 2006-03-02 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KDM4E 3911/4885CYP2C9 80/4885CYP2C19 430/4885

“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.