SCHEMBL47721

SCHEMBL47721

CCOC(=S)SC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL20892703 0.79 ALDH1A1 (0.36) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL20892747 0.79 ALDH1A1 (0.36) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL31694248 0.78 ALDH1A1 (0.42) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL28926138 0.78 CA12 (0.42) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL1524492 0.78 ALDH1A1 (0.38) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL20892679 0.78 MEN1 (0.36) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL23964502 0.76 MEN1 (0.38) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL20892694 0.76 ALDH1A1 (0.34) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL20892748 0.76 MEN1 (0.35) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL1270954 0.76 ALDH1A1 (0.46) ALDH1A1CYP2D6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220313564-A1 DENTAL RESTORATION COMPOSITE RESIN GC CORPORATION (JP) 2022-10-06 US disclosed
EP-4018993-A1 DENTAL RESTORATION COMPOSITE RESIN GC Corporation (JP) 2022-06-29 EP disclosed
US-20210332206-A1 REGIOSELECTIVE C-H XANTHYLATION AS A PLATFORM TECHNOLOGY FOR POLYMER FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2021-10-28 US disclosed
US-10871595-B2 Polymers and nanogel materials and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2020-12-22 US disclosed
US-20200049858-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2020-02-13 US disclosed
WO-2019070889-A1 REGIOSELECTIVE C-H XANTHYLATION AS A PLATFORM TECHNOLOGY FOR POLYMER FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-04-11 WO disclosed
US-20180044518-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2018-02-15 US disclosed
US-9815979-B2 Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2017-11-14 US disclosed
US-20170051145-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2017-02-23 US disclosed
US-9522980-B2 Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-12-20 US disclosed
US-20110275734-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2011-11-10 US disclosed
EP-1688445-B1 Surface chemistry modified latex and resdispersible powders, production and use thereof RHODIA CHIMIE SA (FR) 2010-03-31 EP disclosed
EP-1688445-A1 Surface chemistry modified latex and resdispersible powders, production and use thereof RHODIA CHIMIE (FR) 2006-08-09 EP disclosed
EP-1242492-B1 SURFACE CHEMISTRY MODIFIED LATEX AND RESDISPERSIBLE POWDERS, PRODUCTION AND USE THEREOF RHODIA CHIMIE SA (FR) 2006-05-17 EP disclosed
US-7012114-B2 Surface chemistry modified latex and redispersible powders, production and use thereof RHODIA CHIMIE (FR) 2006-03-14 US disclosed
US-20030114548-A1 Surface chemistry modified latex and resdispersible powders, production and use thereof RHODIA CHIMIE (FR) 2003-06-19 US disclosed
EP-1242492-A1 SURFACE CHEMISTRY MODIFIED LATEX AND RESDISPERSIBLE POWDERS, PRODUCTION AND USE THEREOF RHODIA CHIMIE (FR) 2002-09-25 EP disclosed
WO-2001042325-A1 SURFACE CHEMISTRY MODIFIED LATEX AND RESDISPERSIBLE POWDERS, PRODUCTION AND USE THEREOF RHODIA CHIMIE (FR) 2001-06-14 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-20220313564-A1 DENTAL RESTORATION COMPOSITE RESIN ARCN1, COG1, SEM1 ALDH1A1 814/4885CYP2D6 4596/4885CA12 3328/4885

“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.