SCHEMBL1003525

SCHEMBL1003525

O=Cc1cccc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 4/20 0.62
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
THRB P10828 1/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.55
IL1RN P18510 1/20 0.55
USP2 O75604 1/20 0.55
MCOLN3 Q8TDD5 2/20 0.54
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
SCHEMBL15652183 0.98 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL27867187 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL15651824 0.84 PKM (0.56) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL3343124 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL29533339 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL15650298 0.84 POLB (0.61) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL29257268 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL7363772 0.81 CYP1A2 (0.47) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL1002455 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL1002454 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRNPSR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
CN-104352492-A Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD KK 2015-02-18 CN disclosed
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
US-8168673-B2 Compounds having CRTH2 antagonist activity OXAGEN LIMITED (GB) 2012-05-01 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
EP-2240444-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY Oxagen Limited (GB) 2010-10-20 EP disclosed
WO-2009093029-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2009-07-30 WO disclosed
US-20090192195-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2009-07-30 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 ALDH1A1 188/4885SMN1; SMN2 965/4885LMNA 1767/4885
US-20090192195-A1 Compounds Having CRTH2 Antagonist Activity HRH2, NR3C2, NR2C2 ALDH1A1 3417/4885SMN1; SMN2 3524/4885LMNA 4029/4885

“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.