SCHEMBL8787243

SCHEMBL8787243

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.71
PSEN1 P49768 3/20 0.56
PSEN2 P49810 3/20 0.56
APH1B Q8WW43 3/20 0.56
NCSTN Q92542 3/20 0.56
APH1A Q96BI3 3/20 0.56
PSENEN Q9NZ42 3/20 0.56
APP P05067 1/20 0.56
ATM Q13315 1/20 0.55
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
ACE P12821 1/20 0.51
REN P00797 3/20 0.51

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
SCHEMBL9815894 1.00 KLK5 (0.71) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9832414 1.00 KLK5 (0.71) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6873021 1.00 KLK5 (0.71) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9482833 0.90 KLK5 (0.72) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9833378 0.90 KLK5 (0.72) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL2155955 0.90 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7392856 0.89 KLK5 (0.67) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8538004 0.88 KLK5 (0.66) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12751287 0.88 KLK5 (0.66) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8539590 0.88 KLK5 (0.66) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260668-B1 SEPARATION OF DIASTEREOMERS WARNER-LAMBERT COMPANY (US) 1991-10-09 EP claimed
US-4978759-A REACTING MELDRUM*S ACID WITH PROTECTED AMINO ACID, CYCLIZATION DECYCLIZING, REDUCTION AND DEPROTECTING; STATINE SANOFI, S.A. AND INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1990-12-18 US claimed
US-10077288-B2 Hydroxystatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2018-09-18 US disclosed
EP-2877485-B1 HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-03-14 EP disclosed
EP-2877485-B1 HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-03-14 EP disclosed
US-9624264-B2 Hydroxystatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-9624264-B2 Hydroxystatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-9624264-B2 Hydroxystatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-20170081361-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-20170081361-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-20170081361-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-4816598-A 4-Amino-butanoic acid derivatives SANOFI (FR) 1989-03-28 US disclosed
EP-0300287-A2 Process for the reduction of ketones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
US-4749687-A Renin inhibitors containing statine or derivatives thereof PFIZER INC. (US) 1988-06-07 US disclosed
EP-0260668-A2 Separation of diastereomers WARNER-LAMBERT COMPANY (US) 1988-03-23 EP disclosed
US-4681972-A Separation of diastereomers WARNER-LAMBERT COMPANY (US) 1987-07-21 US disclosed
EP-0155809-A2 Renin inhibitors containing statine or derivatives thereof PFIZER INC. (US) 1985-09-25 EP disclosed
EP-0077029-B1 RENIN INHIBITORY PEPTIDES MERCK & CO. INC. (US) 1985-08-21 EP disclosed
US-4384994-A HYPOTENSIVE AND HYPOALDOSTERONE AGENTS MERCK & CO., INC. (US) 1983-05-24 US disclosed
EP-0077029-A2 Renin inhibitory peptides MERCK & CO. INC. (US) 1983-04-20 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 (2 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-20170081361-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ KLK5 332/4885PSEN1 3776/4885PSEN2 3724/4885
US-10077288-B2 Hydroxystatin derivatives for the treatment of arthrosis CTSD, CTSB, CTSZ KLK5 332/4885PSEN1 3776/4885PSEN2 3724/4885

“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.