SCHEMBL999837

SCHEMBL999837

O=C(O)c1cccc(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.57
MAPT P10636 1/20 0.53
IL1RN P18510 1/20 0.53
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
AKR1C3 P42330 3/20 0.49
CYP2C19 P33261 1/20 0.48
SLC16A3 O15427 1/20 0.47
MEP1B Q16820 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.47
AKR1C1 Q04828 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL3160510 0.93 HTR2A (0.62) CXCR2MAPTIL1RNHTR2AHTR2C
SCHEMBL3160502 0.93 HTR2A (0.62) CXCR2MAPTIL1RNHTR2AHTR2C
SCHEMBL5581691 0.91 MAPT (0.60) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL2746739 0.88 MAPT (0.57) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL30307439 0.88 MAPT (0.57) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL1000532 0.88 MAPT (0.60) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL2405304 0.88 F2 (0.61) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL29964265 0.88 F2 (0.61) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL29280967 0.85 HTR2A (0.68) CXCR2HTR2AHTR2CAKR1C3ALDH1A1
SCHEMBL31109096 0.83 TAS2R14 (0.53) HTR2AHTR2CCA1CA2CYP2C19

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 6 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
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 CXCR2 4684/4885MAPT 4157/4885IL1RN 4197/4885

“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.