SCHEMBL13110754

SCHEMBL13110754

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
ALDH1A1 P00352 7/20 0.34
KMT2A Q03164 5/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 4/20 0.33
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLIN1 O60240 1/20 0.32
ALOX15 P16050 1/20 0.32
PLIN5 Q00G26 1/20 0.32
ABHD5 Q8WTS1 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3453139 0.84 KMT2A (0.36) PIN1PIN4ALDH1A1KMT2AMEN1
SCHEMBL13110816 0.84 KMT2A (0.37) PIN1PIN4ALDH1A1KMT2AHPGD
SCHEMBL13110768 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13110779 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17993850 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13110772 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13110777 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14068299 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13110773 0.72 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL4774697 0.69 CASP3 (0.40) ALDH1A1KMT2AMEN1MAPTNPC1

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-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-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

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-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS PFAS, SULT1A1, CYP2F1 PIN1 2635/4885PIN4 2695/4885ALDH1A1 344/4885

“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.