SCHEMBL893711

SCHEMBL893711

CC(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.61
MEN1 O00255 1/20 0.61
SLC22A2 O15244 1/20 0.61
SLC22A1 O15245 1/20 0.61
ABCC3 O15438 1/20 0.61
ABCC4 O15439 1/20 0.61
MLNR O43193 1/20 0.61
NR1I2 O75469 1/20 0.61
SLCO2B1 O94956 1/20 0.61
ABCB11 O95342 1/20 0.61
ALDH1A1 P00352 1/20 0.61
PGR P06401 1/20 0.61
ABCB1 P08183 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CHRM1 P11229 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL2954848 0.94 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893460 0.94 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893045 0.93 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4961170 0.92 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4956629 0.92 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL24761195 0.91 CYP3A4 (0.60) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893249 0.90 CYP3A4 (0.65) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893781 0.90 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893605 0.90 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL3048814 0.89 CYP3A4 (0.58) CYP3A4MEN1SLC22A2SLC22A1ABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US claimed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US claimed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US claimed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP claimed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US claimed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 WO claimed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885MEN1 4844/4885SLC22A2 977/4885
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 CYP3A4 1/4885MEN1 4439/4885SLC22A2 1251/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885MEN1 4844/4885SLC22A2 977/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885MEN1 4844/4885SLC22A2 977/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885MEN1 4844/4885SLC22A2 977/4885

“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.