SCHEMBL3984508

SCHEMBL3984508

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.65
ATM Q13315 1/20 0.55
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
APP P05067 1/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 1/20 0.51
REN P00797 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
SCHEMBL5171370 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL495758 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL495756 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1481008 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL638912 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL640670 1.00 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL13537629 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL6158017 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL6158094 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL6158009 0.90 KLK5 (0.55) KLK5ATMPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013014633-A1 PROCESS FOR PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2013-01-31 WO disclosed
EP-1309714-B1 STEREOSELECTIVE REDUCTION OF SUBSTITUTED OXO-BUTANES BRISTOL MYERS SQUIBB CO (US) 2009-05-13 EP disclosed
US-6806384-B2 VIA TREATING N-CARBAMATE-PROTECTED BETA-AMINOEPOXIDE WITH ACID FORMING 5-HYDROXYMETHYL-2-OXAZOLIDINONE, THEN OXIDIZING IN 2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY AND HYPOCHLORITE FORMING 4-BENZYL-2-OXO-5-OXAZOLIDINECARBOXYLIC ACID; CRYSTALLIZATION AJINOMOTO CO., INC. (JP) 2004-10-19 US disclosed
US-20020151722-A1 Production method of beta-amino-alpha-hydroxycarboxylic acid AJINOMOTO CO. INC (JP) 2002-10-17 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 (1 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-20020151722-A1 Production method of beta-amino-alpha-hydroxycarboxylic acid HAO2, HAAO, DAO KLK5 2964/4885ATM 4687/4885PSEN1 3188/4885

“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.