SCHEMBL720790

SCHEMBL720790

CC(C)C(N)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.62
PSEN1 P49768 6/20 0.59
PSEN2 P49810 6/20 0.59
APH1B Q8WW43 6/20 0.59
NCSTN Q92542 6/20 0.59
APH1A Q96BI3 6/20 0.59
PSENEN Q9NZ42 6/20 0.59
APP P05067 1/20 0.59
BACE1 P56817 3/20 0.51
REN P00797 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL7799008 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7789578 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9016579 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9016587 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7797841 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5371202 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7392856 0.89 KLK5 (0.67) KLK5PSEN1PSEN2APH1BNCSTN
Oxalic Acid SCHEMBL7796361 0.87 KLK5 (0.60) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL2059396 0.87 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL3361485 0.87 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256534-A1 KETAMINE AND CYTOCHROME P 450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS INC (US) 2018-09-13 US disclosed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-9604952-B2 Compositions and methods for inhibiting cytochrome P450 2D6 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 US disclosed
US-9233952-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS INC (US) 2015-10-08 US disclosed
US-8952056-B2 Methods for inhibiting drug degradation SEQUOIA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-20140343078-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 SEQUOIA PHARMACEUTICALS INC (US) 2014-11-20 US disclosed
US-8791157-B2 5-substituted benzofurans as inhibitors of cytochrome P450 2D6 SEQUOIA PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-8673970-B2 HIV protease inhibitor and cytochrome p450 inhibitor combinations SEQUOIA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS INC (US) 2014-01-23 US disclosed
US-8569364-B2 5-substituted benzofurans as inhibitors of cytochrome P450 2D6 SEQUOIA PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130217704-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 SEQUOIA PHARMACEUTICALS, INC. 2013-08-22 US disclosed
US-8481520-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-8048871-B2 Inhibitors that when coadministered with a drug that undergoes in vivo degradation by cytochrome P450 enzyme, improves the pharmacokinetics, bioavailability and disease treatment such as of HIV, Hepatitis C virus, diabetes, epilepsy, cancer, depression; amide or sulfonamide-functional benzofurans SEQUOIA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS, INC. (MD) 2011-05-12 US disclosed
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20090143408-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 SEQUOIA PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 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 (11 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-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KLK5 2889/4885PSEN1 950/4885PSEN2 999/4885
US-20130217704-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 CYP2D6, CYP2A6, CYP2B6 KLK5 2607/4885PSEN1 1880/4885PSEN2 893/4885
US-20140343078-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 CYP2D6, CYP2A6, CYP2B6 KLK5 2607/4885PSEN1 1880/4885PSEN2 893/4885
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KLK5 2889/4885PSEN1 950/4885PSEN2 999/4885
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SERPINB1, CYP3A43, PREP KLK5 755/4885PSEN1 384/4885PSEN2 696/4885
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KLK5 2889/4885PSEN1 950/4885PSEN2 999/4885
US-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KLK5 2889/4885PSEN1 950/4885PSEN2 999/4885
US-20180256534-A1 KETAMINE AND CYTOCHROME P 450 INHIBITOR COMBINATIONS CYP2E1, CYP3A43, CYP1A2 KLK5 865/4885PSEN1 926/4885PSEN2 1093/4885
US-20090143408-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 2D6 CYP2D6, CYP2A6, CYP2B6 KLK5 2607/4885PSEN1 1880/4885PSEN2 893/4885
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 KLK5 2590/4885PSEN1 796/4885PSEN2 733/4885
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 KLK5 2590/4885PSEN1 796/4885PSEN2 733/4885

“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.