SCHEMBL13508331

SCHEMBL13508331

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
EPHX2 P34913 6/20 0.59
NR1H4 Q96RI1 3/20 0.59
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.53
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 1/20 0.49
MLYCD O95822 1/20 0.49

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
SCHEMBL16556594 0.84 KDM4E (0.63) SMN1; SMN2EPHX2NR1H4ALDH1A1KMT2A
SCHEMBL10997512 0.82 SMN1; SMN2 (0.67) SMN1; SMN2EPHX2NR1H4ALDH1A1KMT2A
SCHEMBL748841 0.80 SMN1; SMN2 (0.64) SMN1; SMN2EPHX2NR1H4ALDH1A1KMT2A
SCHEMBL751285 0.78 SMN1; SMN2 (0.63) SMN1; SMN2EPHX2NR1H4ALDH1A1KMT2A
SCHEMBL10642818 0.78 HDAC3 (0.59) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL13508328 0.78 CYP1A2 (0.58) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL10642513 0.77 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL12203826 0.77 NAAA (0.63) SMN1; SMN2EPHX2MLYCD
SCHEMBL11949250 0.77 SMN1; SMN2 (0.61) SMN1; SMN2EPHX2NR1H4ALDH1A1KMT2A
SCHEMBL10645255 0.77 SMN1; SMN2 (0.61) SMN1; SMN2EPHX2NR1H4ALDH1A1KMT2A

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 SMN1; SMN2 3111/4885EPHX2 3282/4885NR1H4 940/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 SMN1; SMN2 2247/4885EPHX2 3267/4885NR1H4 528/4885

“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.