SCHEMBL999826

SCHEMBL999826

CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)c3cn[nH]c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.48
NAMPT P43490 8/20 0.47
USP36 Q9P275 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
ROCK2 O75116 1/20 0.45
KAT6A Q92794 1/20 0.45
MAPT P10636 1/20 0.44
MCL1 Q07820 1/20 0.44
XDH P47989 1/20 0.43

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
SCHEMBL1001301 0.84 NAMPT (0.60) ALDH1A1LMNATP53MAPK1NAMPT
SCHEMBL1002121 0.82 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPK1NAMPT
SCHEMBL1001412 0.80 LMNA (0.47) ALDH1A1LMNATP53MAPK1NAMPT
SCHEMBL1001981 0.80 SMN1; SMN2 (0.54) ALDH1A1LMNATP53MAPK1USP36
SCHEMBL1002278 0.80 ALDH1A1 (0.52) ALDH1A1LMNATP53MAPK1NAMPT
SCHEMBL1000746 0.79 SMN1; SMN2 (0.49) ALDH1A1LMNATP53MAPK1USP36
SCHEMBL1000696 0.78 SMN1; SMN2 (0.50) ALDH1A1LMNATP53MAPK1NAMPT
SCHEMBL1000538 0.74 MEN1 (0.68) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL1002080 0.74 HTR2B (0.53) ALDH1A1LMNATP53MAPK1USP36
SCHEMBL1002452 0.74 KMT2A (0.53) ALDH1A1LMNATP53MAPK1USP36

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
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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 (1 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 ALDH1A1 188/4885LMNA 1767/4885TP53 4191/4885

“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.