SCHEMBL824487

SCHEMBL824487

COc1cc(OC)c(C(=O)CBr)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GSK3B P49841 1/20 0.52
CYP2D6 P10635 2/20 0.51
LMNA P02545 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2C P18825 1/20 0.51
OPRK1 P41145 1/20 0.51
KCNH2 Q12809 1/20 0.51
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
HPGDS O60760 1/20 0.47
KMT2A Q03164 1/20 0.44

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
SCHEMBL7237714 0.88 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2GSK3B
SCHEMBL12248740 0.85 HPGDS (0.47) CYP3A4SMN1; SMN2GSK3BALDH1A1HPGDS
SCHEMBL8546247 0.82 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL827858 0.81 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL2381417 0.81 GSK3B (0.52) CYP3A4MAPK1GSK3BALDH1A1KMT2A
SCHEMBL733130 0.80 MAPT (0.46) CYP3A4SMN1; SMN2GSK3BCYP2D6LMNA
SCHEMBL1612678 0.80 HPGDS (0.44) CYP3A4USP2MAPK1SMN1; SMN2GSK3B
SCHEMBL4727216 0.79 CYP2D6 (0.57) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL22498722 0.79 CYP3A4 (0.56) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL7193907 0.79 CYP2D6 (0.57) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP claimed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US claimed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US claimed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP claimed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO claimed
US-11071736-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION 2021-07-27 US disclosed
US-10588909-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2020-03-17 US disclosed
EP-2785714-B1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2018-11-21 EP disclosed
US-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR DEVELOPMENT CENTER OF BIOTECHNOLOGY (TW) 2018-11-08 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US disclosed
EP-1896401-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 EP disclosed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 WO disclosed
US-RE37094-E1 Heterocyclic substituted acylaminothiazoles, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2001-03-13 US disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed
US-5189049-A Cholecystokinin and gastrin inhibitors SANOFI (FR) 1993-02-23 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 (5 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-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 CYP3A4 3983/4885USP2 1461/4885MAPK1 1556/4885
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA CYP3A4 1638/4885USP2 821/4885MAPK1 1863/4885
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 CYP3A4 3983/4885USP2 1461/4885MAPK1 1556/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CYP3A4 3983/4885USP2 1461/4885MAPK1 1556/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CYP3A4 3983/4885USP2 1461/4885MAPK1 1556/4885

“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.