SCHEMBL4941724

SCHEMBL4941724

CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.58
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
KLK5 Q9Y337 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53
ITGA4 P13612 1/20 0.52
ITGB7 P26010 1/20 0.52
MAOA P21397 1/20 0.51

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
SCHEMBL19567138 0.92 ACE (0.63) ACEPOLBMAPTKLK5TDP1
SCHEMBL15706369 0.92 ACE (0.63) ACEPOLBMAPTKLK5TDP1
SCHEMBL19567159 0.88 ACE (0.58) ACEPOLBMAPTKLK5TDP1
SCHEMBL30291800 0.87 ACE (0.60) ACEPOLBMAPTKLK5TDP1
SCHEMBL30887591 0.87 ACE (0.60) ACEPOLBMAPTKLK5TDP1
SCHEMBL19051497 0.87 HDAC1 (0.67) POLBHDAC1HDAC6
SCHEMBL19567162 0.86 ACE (0.59) ACEPOLBMAPTKLK5TDP1
SCHEMBL8675408 0.86 HDAC1 (0.57) ACEPOLBMAPTKLK5TDP1
SCHEMBL10076050 0.84 MAPT (0.58) ACEPOLBMAPTKLK5TDP1
SCHEMBL19567163 0.84 MAPT (0.58) ACEPOLBMAPTKLK5TDP1

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
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 US disclosed
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 US disclosed
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 US disclosed
EP-1804838-A2 DRUG CONJUGATES OF LONG CHAIN FATTY ACID OR ESTER MOIETIES AS PROTEIN BINDING PRODRUGS Drug Discovery Laboratory AS (NO) 2007-07-11 EP disclosed
EP-1663181-A2 PROTEIN BINDING COMPOUNDS Drug Discovery Laboratory AS (NO) 2006-06-07 EP disclosed
WO-2006030217-A2 DRUG CONJUGATES OF LONG CHAIN FATTY ACID OR ESTER MOIETIES AS PROTEIN BINDING PRODRUGS DRUG DISCOVERY LABORATORY AS (NO) 2006-03-23 WO disclosed
WO-2005025552-A2 PROTEIN BINDING COMPOUNDS DRUG DISCOVERY LABORATORY AS (NO) 2005-03-24 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-20070259889-A1 Protein Binding Compounds FABP1, FABP3, FABP2 ACE 427/4885POLB 3589/4885MAPT 1968/4885
US-20080103110-A1 Compounds ATIC, CDA, PAICS ACE 3255/4885POLB 693/4885MAPT 4869/4885

“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.