SCHEMBL6443922

SCHEMBL6443922

CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.57
PSEN1 P49768 10/20 0.57
PSEN2 P49810 10/20 0.57
APH1B Q8WW43 10/20 0.57
NCSTN Q92542 10/20 0.57
APH1A Q96BI3 10/20 0.57
PSENEN Q9NZ42 10/20 0.57
KLK5 Q9Y337 2/20 0.54
SYK P43405 1/20 0.50
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
SLCO2B1 O94956 1/20 0.49
ABCB11 O95342 1/20 0.49
ABCB1 P08183 1/20 0.49
UGT1A1 P22309 1/20 0.49
CCKAR P32238 1/20 0.49
OPRK1 P41145 1/20 0.49
GHSR Q92847 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL6443918 1.00 CTSB (0.57) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL8331508 0.96 CTSB (0.54) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL8332535 0.94 PSEN1 (0.53) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL8331942 0.94 PSEN1 (0.51) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL6557017 0.93 CTSB (0.54) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL5929888 0.93 CTSB (0.54) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL5929911 0.93 CTSB (0.54) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL3545793 0.91 PSEN1 (0.49) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL7336056 0.91 CYP3A4 (0.54) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL8331011 0.90 PSEN1 (0.52) CTSBPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons PHARMACIA & UPJOHN 2004-12-30 US disclosed
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP disclosed
US-6258806-B1 PEPTIDES WITH CYCLIC DIAZAALKANES FOR PREVENTION OF PREMATURE METABOLISM METHOD FOR INHIBITING AN HIV PROTEASE IN A MAMMAL IN NEED OF SUCH PROTEASE INHIBITION, COMPRISING ADMINISTERING TO SAID MAMMAL AN EFFECTIVE DOSAGE NARHEX LIMITED (HK) 2001-07-10 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0633881-A4 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS. 1995-02-22 EP disclosed
EP-0633881-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS Narhex Limited (HK) 1995-01-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
WO-1993018006-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LIMITED (HK) 1993-09-16 WO 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CTSB 41/4885PSEN1 2/4885PSEN2 5/4885
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons BACE1, BACE2, PSEN1 CTSB 67/4885PSEN1 3/4885PSEN2 5/4885

“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.