SCHEMBL753187

SCHEMBL753187

COC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.70
MME P08473 1/20 0.66
ACE P12821 1/20 0.66
CPA1 P15085 1/20 0.66
ACE2 Q9BYF1 1/20 0.66
GPR34 Q9UPC5 6/20 0.65
ITGB3 P05106 6/20 0.61
ITGA2B P08514 6/20 0.61
GPR132 Q9UNW8 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59

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
SCHEMBL16541078 1.00 PPARG (0.70) PPARGMMEACECPA1ACE2
SCHEMBL16552342 0.91 PPARG (0.69) PPARGMMEACECPA1ACE2
SCHEMBL19364838 0.91 PPARG (0.62) PPARGMMEACECPA1ACE2
SCHEMBL9161282 0.90 ITGB3 (0.75) PPARGMMEACECPA1ACE2
SCHEMBL14338208 0.90 ITGB3 (0.75) PPARGMMEACECPA1ACE2
SCHEMBL1023326 0.90 ITGB3 (0.75) PPARGMMEACECPA1ACE2
SCHEMBL27703721 0.90 ITGB3 (0.75) PPARGMMEACECPA1ACE2
SCHEMBL888747 0.89 NPC1 (0.59) PPARGMMEACECPA1ACE2
SCHEMBL10122834 0.89 NPC1 (0.59) PPARGMMEACECPA1ACE2
SCHEMBL2747735 0.88 PPARG (0.65) PPARGMMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039009-B1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2019-05-01 EP disclosed
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 US disclosed
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-7659270-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (12 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL PPARG 2209/4885MME 1155/4885ACE 805/4885
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT PPARG 1707/4885MME 785/4885ACE 765/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PPARG 1898/4885MME 1382/4885ACE 865/4885

“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.