SCHEMBL4634083

SCHEMBL4634083

CC(C)C[C@H](C(=O)O)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CTSK P43235 5/20 0.49
CTSB P07858 3/20 0.48
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL6654265 1.00 ALDH1A1 (0.50) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL4634087 1.00 ALDH1A1 (0.50) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL6624016 0.95 ALDH1A1 (0.49) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL6625376 0.95 ALDH1A1 (0.49) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL8187290 0.94 CTSK (0.48) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL8385337 0.89 ALDH1A1 (0.49) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL9807069 0.88 ALDH1A1 (0.50) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL9807067 0.88 ALDH1A1 (0.50) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL9327734 0.88 ALDH1A1 (0.50) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL7554462 0.85 ALDH1A1 (0.47) ALDH1A1CTSKCTSBCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931624-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS Serentis Limited (GB) 2008-06-18 EP disclosed
WO-2007025999-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS SERENTIS LIMITED (GB) 2007-03-08 WO disclosed
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions SERENTIS LIMITED (GB) 2007-03-01 US disclosed
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 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-20070049518-A1 Novel method of treatment of inflammatory skin conditions MMP8, CUTA, MMP1 ALDH1A1 3874/4885CTSK 112/4885CTSB 103/4885

“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.