SCHEMBL1001471

SCHEMBL1001471

O=C(O)c1cccc(S(=O)(=O)c2cnccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
IL1RN P18510 1/20 0.47
KMO O15229 1/20 0.47
CYP2C19 P33261 1/20 0.46
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 2/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
APEX1 P27695 1/20 0.43
AKR1C3 P42330 4/20 0.42
NAMPT P43490 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42

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
SCHEMBL994515 0.82 KDM4E (0.54) MAPTIL1RNCYP2C19F2PRSS1
SCHEMBL31108972 0.82 NAMPT (0.51) CYP2C19CA1CA2ALDH1A1APP
SCHEMBL13506044 0.80 HTR6 (0.48) ALDH1A1NAMPTABCC9ABCC8KCNJ11
SCHEMBL27869139 0.78 HTR6 (0.46) ALDH1A1NAMPTABCC9ABCC8KCNJ11
SCHEMBL29964265 0.78 F2 (0.61) MAPTIL1RNCYP2C19F2PRSS1
SCHEMBL2405304 0.78 F2 (0.61) MAPTIL1RNCYP2C19F2PRSS1
SCHEMBL1000715 0.77 CYP2C19 (0.51) MAPTIL1RNCYP2C19F2PRSS1
SCHEMBL1000532 0.74 MAPT (0.60) MAPTIL1RNKMOCYP2C19F2
SCHEMBL5581691 0.74 MAPT (0.60) MAPTIL1RNCYP2C19F2PRSS1
SCHEMBL11174349 0.72 LCK (0.63) MAPTIL1RNCYP2C19F2PRSS1

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 MAPT 4157/4885IL1RN 4197/4885KMO 654/4885

“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.