SCHEMBL3453217

SCHEMBL3453217

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
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
HPGD P15428 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
SCHEMBL13110750 0.77 ALDH1A1 (0.39) ALDH1A1CYP2D6LMNAHSD17B10HDAC3
SCHEMBL3453716 0.77 ALDH1A1 (0.36) ALDH1A1CYP2D6
SCHEMBL3452906 0.76 ALDH1A1 (0.39) ALDH1A1CYP2D6LMNAHSD17B10HDAC3
SCHEMBL3452853 0.74 ALDH1A1 (0.37) ALDH1A1CYP2D6
SCHEMBL17212355 0.74 ALDH1A1 (0.46) ALDH1A1CYP2D6LMNAHSD17B10HDAC3
SCHEMBL3615673 0.74 ALDH1A1 (0.46) ALDH1A1CYP2D6LMNAHSD17B10HDAC3
SCHEMBL13110803 0.69 ALDH1A1 (0.33) ALDH1A1CYP2D6LMNAHSD17B10
SCHEMBL17993848 0.69 PRSS1 (0.36) ALDH1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL18113181 0.69 ALDH1A1 (0.38) ALDH1A1CYP2D6
SCHEMBL238094 0.68 ALDH1A1 (0.47) ALDH1A1CYP2D6LMNAHSD17B10HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 367/4885CYP2D6 185/4885LMNA 1992/4885
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 344/4885CYP2D6 215/4885LMNA 1430/4885

“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.