SCHEMBL2601893

SCHEMBL2601893

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.70
PSEN1 P49768 9/20 0.52
PSEN2 P49810 9/20 0.52
APH1B Q8WW43 9/20 0.52
NCSTN Q92542 9/20 0.52
APH1A Q96BI3 9/20 0.52
PSENEN Q9NZ42 9/20 0.52
SPPL2A Q8TCT8 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
CTRB1 P17538 2/20 0.46
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
CTSD P07339 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL18944133 1.00 CTSB (0.70) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL2601897 0.90 CTSB (0.71) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL17754421 0.90 CTSB (0.71) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL17754419 0.90 CTSB (0.71) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL2601896 0.86 CTSB (0.71) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL22192866 0.83 CTSB (0.76) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL17754427 0.83 CTSB (0.76) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL17754418 0.82 CTSB (1.00) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL2601898 0.82 CTSB (1.00) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL2601894 0.82 CTSB (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163953-B2 Compounds for lysosomal modulation and methods of use UNIVERSITY OF CONNECTICUT (US) 2012-04-24 US disclosed
US-8163953-B2 Compounds for lysosomal modulation and methods of use UNIVERSITY OF CONNECTICUT (US) 2012-04-24 US disclosed
US-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use UNIVERSITY OF CONNECTICUT 2009-11-12 US disclosed
US-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use UNIVERSITY OF CONNECTICUT 2009-11-12 US disclosed
WO-2009129532-A1 COMPOUNDS FOR LYSOSOMAL MODULATION AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2009-10-22 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 (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-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use GAA, GBA1, CTSA CTSB 14/4885PSEN1 54/4885PSEN2 53/4885

“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.