SCHEMBL8895040

SCHEMBL8895040

COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.51
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
ATM Q13315 1/20 0.43
SLC6A4 P31645 1/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL12069801 1.00 KLK5 (0.51) KLK5CTSKCTSSMAPTKMT2A
SCHEMBL8231291 1.00 KLK5 (0.51) KLK5CTSKCTSSMAPTKMT2A
SCHEMBL30641554 0.96 KLK5 (0.48) KLK5CTSKCTSSMAPTKMT2A
SCHEMBL18938357 0.92 KLK5 (0.47) KLK5CTSKCTSSMAPTCTSL
SCHEMBL8380269 0.88 CTSK (0.51) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL4117141 0.88 CTSK (0.51) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL4117143 0.88 CTSK (0.51) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL3184905 0.88 CTSK (0.51) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL15312814 0.88 CTSK (0.46) KLK5CTSKCTSSMAPTGABRB1
SCHEMBL15312812 0.88 CTSK (0.46) KLK5CTSKCTSSMAPTGABRB1

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
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-02 US disclosed
US-7781609-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative NISSAN CHEMICAL INDUSTRIAL, LTD. (JP) 2008-06-12 US disclosed
US-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 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 (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-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative HCAR2, HCAR1, ALDH7A1 KLK5 2969/4885CTSK 1882/4885CTSS 1136/4885
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES PTMS, STT3A, GCG KLK5 574/4885CTSK 1454/4885CTSS 1138/4885

“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.