SCHEMBL9054589

SCHEMBL9054589

COc1ccc(S(=O)(=O)c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.73
GAA P10253 1/20 0.61
RAPGEF4 Q8WZA2 1/20 0.50
HSD11B1 P28845 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
CA2 P00918 3/20 0.47
LOX P28300 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MMP13 P45452 4/20 0.47
MMP1 P03956 3/20 0.47
CA1 P00915 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
PKLR P30613 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL930312 0.92 PKM (0.58) PKMGAAFFAR4MMP13MMP1
SCHEMBL14486413 0.85 PKM (1.00) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL13074716 0.85 PKM (1.00) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL835692 0.85 PKM (1.00) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL21573778 0.85 PKM (0.68) PKMGAARAPGEF4HSD11B1TAS1R3
SCHEMBL4613497 0.85 HTR6 (0.54) PKMGAAFFAR4MMP2MMP9
SCHEMBL21540974 0.85 PTGS2 (0.51) PKMGAALOXFFAR4MMP13
SCHEMBL178454 0.83 CA1 (0.61) GAATAS1R3TAS1R1TAS1R2CA2
SCHEMBL26268 0.83 PKM (0.65) PKMGAARAPGEF4FFAR4MMP13
SCHEMBL19557330 0.83 MAPT (0.54) PKMGAAFFAR4MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8277261-A None JP disclosed
US-20220017645-A1 CHARGE-BEARING CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2022-01-20 US disclosed
US-11155646-B2 Charge-bearing cyclodextrin polymeric materials and methods of making and using same CYCLOPURE, INC. (US) 2021-10-26 US disclosed
US-20210163631-A1 CHARGE-BEARING CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2021-06-03 US disclosed
US-11001645-B2 Charge-bearing cyclodextrin polymeric materials and methods of making and using same CYCLOPURE, INC. (US) 2021-05-11 US disclosed
US-20200262936-A1 CHARGE-BEARING CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2020-08-20 US disclosed
EP-3350149-B1 [(2-ETHOXY-5-TRANS-1-PROPEN-1-YL)-PHENOXYL]-TERMINATED COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2019-11-20 EP disclosed
US-20160271089-A1 METHODS AND COMPOSITIONS FOR ORAL DELIVERY OF FTS KADMON CORPORATION, LLC (US) 2016-09-22 US disclosed
JP-H08277261-A ASYMMETRIC 4,4'-DIALKYLOXYDIPHENYLSULFONE COMPOUND, ITS PRODUCTION AND PRODUCTION OF 4-ALKYLOXY-4'-HYDROXYDIPHENYLSULFONE COMPOUND USING THE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1996-10-22 JP 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-20160271089-A1 METHODS AND COMPOSITIONS FOR ORAL DELIVERY OF FTS HRAS, KRAS, KSR2 PKM 4650/4885GAA 1330/4885RAPGEF4 490/4885

“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.