SCHEMBL3452906

SCHEMBL3452906

CCOC(=S)SC(NC(C)=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
CYP2D6 P10635 1/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL17993848 0.84 PRSS1 (0.36) ALDH1A1MAPTKMT2ACYP2D6HDAC3
SCHEMBL13110712 0.82 CYP1A2 (0.44) ALDH1A1MAPTCYP2D6SMN1; SMN2PKM
SCHEMBL6295105 0.80 ALDH1A1 (0.33) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL6428828 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ACYP2D6
SCHEMBL3451943 0.78 ALDH1A1 (0.31) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3451940 0.78 ALDH1A1 (0.37) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3452638 0.78 ALDH1A1 (0.32) ALDH1A1CYP2D6LMNAHDAC3HDAC4
SCHEMBL3453558 0.77 ALDH1A1 (0.31) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3453123 0.77 ALDH1A1 (0.31) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3451536 0.77 ALDH1A1 (0.31) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539688-B1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES CENTRE NAT RECH SCIENT (FR) 2016-08-10 EP claimed
US-7820831-B2 Compounds comprising a thiocarbonyl-sulfanyl group which can be used for the radical synthesis of α-perfluoroalkylamine compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-10-26 US claimed
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS RHODIA OPERATIONS (FR) 2008-12-11 US claimed
US-7423161-B2 Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines RHODIA CHIMIE (FR) 2008-09-09 US claimed
US-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines RHODIA CHIMIE (FR) 2006-06-08 US claimed
US-11575156-B2 Diselenoester electrolyte additives for fast charging lithium ion batteries StoreDot Ltd. (IL) 2023-02-07 US disclosed
US-11205796-B2 Electrolyte additives in lithium-ion batteries StoreDot Ltd. (IL) 2021-12-21 US disclosed
US-20210242500-A1 ELECTROLYTES FOR FAST CHARGING LITHIUM ION BATTERIES HAVING FOUR-CARBON CHAIN ESTERS AS LINEAR COMPONENTS StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210242497-A1 DISELENOESTER ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210234197-A1 ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-07-29 US disclosed
US-20190356013-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-11-21 US disclosed
US-20190198912-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-06-27 US disclosed
US-7820831-B2 Compounds comprising a thiocarbonyl-sulfanyl group which can be used for the radical synthesis of α-perfluoroalkylamine compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-10-26 US disclosed
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS RHODIA OPERATIONS (FR) 2008-12-11 US disclosed
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS RHODIA OPERATIONS (FR) 2008-12-11 US disclosed
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS RHODIA OPERATIONS (FR) 2008-12-11 US disclosed
US-7423161-B2 Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines RHODIA CHIMIE (FR) 2008-09-09 US disclosed
US-7423161-B2 Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines RHODIA CHIMIE (FR) 2008-09-09 US disclosed
US-7423161-B2 Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines RHODIA CHIMIE (FR) 2008-09-09 US disclosed
US-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines RHODIA CHIMIE (FR) 2006-06-08 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 (2 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-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines PFAS, CYP2F1, SULT1A1 ALDH1A1 367/4885MAPT 4472/4885MEN1 2921/4885
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS PFAS, SULT1A1, CYP2F1 ALDH1A1 344/4885MAPT 4493/4885MEN1 2986/4885

“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.