SCHEMBL3453311

SCHEMBL3453311

CC(=O)NC(C)C(NC(C)=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3453126 0.85 PLA2G2C (0.35) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL801237 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL801063 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL14157901 0.74 TRPV1 (0.46) TRPV1ALDH1A1KDM4EMAPTTHRB
SCHEMBL17722836 0.73 ALDH1A1 (0.37) TRPV1ALDH1A1KDM4EMAPTTHRB
SCHEMBL17777044 0.73 ALDH1A1 (0.37) TRPV1ALDH1A1KDM4EMAPTTHRB
SCHEMBL17777043 0.73 ALDH1A1 (0.37) TRPV1ALDH1A1KDM4EMAPTTHRB
SCHEMBL801285 0.73 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL228531 0.72
SCHEMBL20228901 0.70 TRPV1 (0.39) TRPV1ALDH1A1

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 7 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 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-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
EP-1539688-A2 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES Rhodia Chimie (FR) 2005-06-15 EP disclosed
WO-2004024681-A2 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES RHODIA CHIMIE (FR) 2004-03-25 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 (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 TRPV1 4094/4885ALDH1A1 367/4885KDM4E 2583/4885
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 TRPV1 4233/4885ALDH1A1 344/4885KDM4E 3189/4885

“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.