SCHEMBL3453139

SCHEMBL3453139

CCOC(=S)SC(CC(NC(C)=O)C(F)(F)F)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CTRB1 P17538 1/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL13110754 0.84 PIN1 (0.36) KMT2AMEN1PIN1PIN4POLB
SCHEMBL13110816 0.84 KMT2A (0.37) KMT2AMEN1PIN1PIN4ALDH1A1
SCHEMBL3451940 0.75 ALDH1A1 (0.37) ALDH1A1CTRB1
SCHEMBL3453558 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3451536 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3452305 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3452637 0.73 ALDH1A1 (0.35) ALDH1A1CTRB1
SCHEMBL6295105 0.73 ALDH1A1 (0.33) ALDH1A1CTRB1PKM
SCHEMBL3452307 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13110723 0.72 PRSS1 (0.41) KMT2APIN1GAACTRB1NPC1

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 13 patents. 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-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
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 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-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-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 KMT2A 3111/4885MEN1 2921/4885PIN1 2110/4885
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 KMT2A 3568/4885MEN1 2986/4885PIN1 2635/4885

“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.