SCHEMBL1001389

SCHEMBL1001389

CC(C)Oc1ccc(NC(=O)CCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 2/20 0.51
MITF O75030 1/20 0.51
NOD2 Q9HC29 1/20 0.51

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
SCHEMBL1001196 0.90 MAPT (0.60) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28004350 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1001582 0.82 KMT2A (0.80) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1000635 0.81 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1001348 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1001297 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1001295 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1003358 0.77 KMT2A (0.62) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL20669474 0.76 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1001510 0.75 TP53 (0.63) ALDH1A1KMT2AMEN1GAAMAPT

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 188/4885KMT2A 473/4885MEN1 4600/4885

“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.