SCHEMBL1000768

SCHEMBL1000768

CCOC(=O)C1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3ncccc3OC)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 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
SCHEMBL1001640 0.91 CYP2C19 (0.49) ALDH1A1SMN1; SMN2CYP2C19RAB9ALMNA
SCHEMBL1000611 0.90 MEN1 (0.51) ALDH1A1SMN1; SMN2RAB9ALMNAGAA
SCHEMBL1001634 0.89 LMNA (0.51) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL1000551 0.89 LMNA (0.51) ALDH1A1SMN1; SMN2RAB9ALMNAHTT
SCHEMBL1003224 0.85 L3MBTL1 (0.60) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL1000769 0.84 MEN1 (0.65) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL1001588 0.83 MEN1 (0.67) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL1001275 0.81 TSHR (0.61) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL1000556 0.79 CYP2C19 (0.78) ALDH1A1SMN1; SMN2CYP2C19RAB9APKM
SCHEMBL22070846 0.79 CYP2C19 (0.78) ALDH1A1SMN1; SMN2CYP2C19RAB9APKM

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 188/4885SMN1; SMN2 965/4885CYP2C19 475/4885

“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.