SCHEMBL13508329

SCHEMBL13508329

CC(C)(C)/C=C/c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KEAP1 Q14145 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KIF11 P52732 4/20 0.45
PGR P06401 1/20 0.42
ESR1 P03372 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL11133221 0.86 SMN1; SMN2 (0.46) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL11133219 0.86 SMN1; SMN2 (0.46) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14358816 0.85 KEAP1 (0.58) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14358814 0.85 KEAP1 (0.58) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL17404864 0.81 PGR (0.39) ALDH1A1SMN1; SMN2MAPTLMNACA12
SCHEMBL15836266 0.79 KEAP1 (0.52) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3554742 0.79 KEAP1 (0.52) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL15218448 0.78 KEAP1 (0.67) NR3C2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL27587461 0.78 CA12 (0.53) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8017825 0.77 KEAP1 (0.54) NR3C2ALDH1A1SMN1; SMN2MAPTKDM4E

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-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 NR3C2 2799/4885ALDH1A1 3165/4885SMN1; SMN2 3111/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 NR3C2 2628/4885ALDH1A1 2855/4885SMN1; SMN2 2247/4885

“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.