SCHEMBL2484468

SCHEMBL2484468

Cc1ccc(S(=O)(=O)O)c(CC2CCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
RCE1 Q9Y256 1/20 0.40
ALOX12 P18054 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL965090 1.00 KDM4E (0.46) KDM4EMAPK1SLC12A2SLC12A5HPGD
SCHEMBL27206070 0.93 KDM4E (0.39) KDM4EMAPK1SLC12A2SLC12A5HPGD
SCHEMBL537494 0.85 KMT2A (0.38) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL909752 0.85 KMT2A (0.38) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL909187 0.85 KMT2A (0.38) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL32681961 0.83 SLC6A2 (0.37) KDM4EMAPK1TSHRGAAPOLB
SCHEMBL20184269 0.83 ALDH1A1 (0.44) KDM4EMAPK1MAPTGAAALDH1A1
SCHEMBL5153705 0.80 ALDH1A1 (0.33) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL23151908 0.80 DRD4 (0.34) KDM4EMAPK1PKMRAB9AHTT
SCHEMBL20573229 0.79 EPHX2 (0.38) PKMRAB9ATSHRHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 WO disclosed
US-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
EP-0608054-B1 Catalyst compositions and process for preparing polyolefins BP CHEM INT LTD (GB) 1999-07-07 EP disclosed
US-5814574-A ZIRCONIUM METALLOCENE POLYMERIZATION CATALYSTS; NARROW MOLECULAR WEIGHT DISTRIBUTION BP CHEMICALS LIMITED (GB) 1998-09-29 US disclosed
US-5767209-A A METALLOCENE COMPLEX OF A GROUP 4 METAL AND A CYCLOPENTADIENYL NUCLEUS ON AN INORGANIC SUPPORT WITHOUT USING COCATALYSTS, E.G. ALUMOXANES, AS THE MEANS OF SUPPORT BP CHEMICALS LIMITED (GB) 1998-06-16 US disclosed
EP-0608054-A2 Catalyst compositions and process for preparing polyolefins BP Chemicals Limited (GB) 1994-07-27 EP disclosed
US-4242343-A TRANQUILIZERS, ANTIDEPRESSANTS SYNTHELABO (FR) 1980-12-30 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 (3 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS KDM4E 2462/4885MAPK1 3950/4885SLC12A2 4455/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS KDM4E 3566/4885MAPK1 3449/4885SLC12A2 4250/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 KDM4E 3003/4885MAPK1 3116/4885SLC12A2 1685/4885

“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.