SCHEMBL3452136

SCHEMBL3452136

C=CCN(c1ccc(Br)cc1)S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 5/20 0.51
PYCR1 P32322 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
PER2 O15055 1/20 0.43
CRY1 Q16526 1/20 0.43
CRY2 Q49AN0 1/20 0.43
CYP19A1 P11511 1/20 0.42
ESR1 P03372 1/20 0.41
RAB9A P51151 1/20 0.41
S1PR1 P21453 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
C5AR1 P21730 1/20 0.39
LSS P48449 1/20 0.38

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
SCHEMBL9464379 0.83 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1MEN1PKM
SCHEMBL9259732 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1MEN1PKM
SCHEMBL14349992 0.79 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1MEN1PKM
SCHEMBL18346856 0.78 PER2 (0.47) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL1409649 0.72 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL12879136 0.72 LMNA (0.56) SMN1; SMN2LMNAALDH1A1MEN1PKM
SCHEMBL10795320 0.72 PYCR1 (0.56) PYCR1ALDH1A1LSS
SCHEMBL8001371 0.71 PYCR1 (0.50) SMN1; SMN2LMNAPYCR1ALDH1A1MEN1
SCHEMBL14574975 0.70 POLB (0.43) SMN1; SMN2LMNAALDH1A1MEN1PKM
SCHEMBL28565298 0.69 PYCR1 (0.45) LMNAPYCR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081800-B Containing CF3Synthesis method of indoline and 1,2,3,4-tetrahydroisoquinoline 昆明学院 2021-10-01 CN disclosed
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

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 SMN1; SMN2 4076/4885LMNA 1992/4885PYCR1 220/4885
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 SMN1; SMN2 4169/4885LMNA 1430/4885PYCR1 235/4885

“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.