SCHEMBL1096271

SCHEMBL1096271

CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)sc(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
KDM4E B2RXH2 6/20 0.61
RCE1 Q9Y256 1/20 0.61
ALDH1A1 P00352 9/20 0.59
HPGD P15428 4/20 0.59
MAPT P10636 4/20 0.59
USP2 O75604 3/20 0.59
GAA P10253 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TSHR P16473 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL1095867 0.85 CNR2 (0.57) MEN1KMT2AKDM4ERCE1ALDH1A1
SCHEMBL17479303 0.78 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL11376733 0.77 ALDH1A1 (0.77) MEN1KMT2AKDM4ERCE1ALDH1A1
SCHEMBL1095594 0.76 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15276776 0.75 MEN1 (0.77) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL23711000 0.75 MAPT (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL24337259 0.75 MAPT (0.70) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8290348 0.74 MAPT (0.75) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15276800 0.74 SMN1; SMN2 (0.71) MEN1KMT2AALDH1A1MAPTUSP2
SCHEMBL1001675 0.73 L3MBTL1 (0.83) MEN1KMT2AKDM4EALDH1A1MAPT

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
US-8153803-B2 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2009-10-15 US disclosed
EP-2068875-A2 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY The General Hospital Corporation (US) 2009-06-17 EP disclosed
US-20090069559-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2009-03-12 US disclosed
US-20090069559-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2009-03-12 US disclosed
WO-2008011476-A2 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2008-01-24 WO disclosed
US-20080021063-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2008-01-24 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 (3 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-20090069559-A1 Compositions and methods for modulating sirtuin activity SIRT2, SIRT1, SIRT3 MEN1 2753/4885KMT2A 261/4885KDM4E 957/4885
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY SIRT2, SIRT1, SIRT3 MEN1 2753/4885KMT2A 261/4885KDM4E 957/4885
US-20080021063-A1 Compositions and methods for modulating sirtuin activity SIRT2, SIRT1, SIRT3 MEN1 2753/4885KMT2A 261/4885KDM4E 957/4885

“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.