SCHEMBL3223568

SCHEMBL3223568

COc1cc(Cl)c(C=O)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.56
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ERN1 O75460 7/20 0.46
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PTPN1 P18031 2/20 0.40
TNFRSF1A P19438 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL23214848 0.93 PRKDC (0.61) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL16117918 0.85 ALDH1A1 (0.57) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1049563 0.84 ALDH1A1 (0.66) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL15054285 0.82 ALDH1A1 (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL18270047 0.82 PRKDC (0.81) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL30665931 0.82 PRKDC (0.81) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL29655238 0.82 ALDH1A1 (0.69) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1539323 0.82 ALDH1A1 (0.69) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL32668636 0.79 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL2859718 0.79 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
CN-101611023-A The 1-phenyl 1-thio-D-glucitol derivative TAISHO PHARMACEUTICAL CO LTD (JP) 2009-12-23 CN disclosed
EP-2103607-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-09-23 EP disclosed
EP-2103607-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-09-23 EP 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 PRKDC 3562/4885ALDH1A1 210/4885KDM4E 1726/4885
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 PRKDC 4220/4885ALDH1A1 2392/4885KDM4E 2780/4885
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE SLC5A1, SLC5A2, SLC2A1 PRKDC 4231/4885ALDH1A1 375/4885KDM4E 3006/4885

“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.