SCHEMBL3864530

SCHEMBL3864530

CC(C)(C)OC(=O)NC(CC=Cc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
CTSB P07858 1/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
SCN9A Q15858 2/20 0.41
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ACE P12821 1/20 0.38
PIN1 Q13526 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL3864527 1.00 CTSS (0.41) CTSSCTSKCTSBPPARAPPARG
SCHEMBL4821131 0.97 PPARA (0.42) CTSSCTSKCTSBPPARAPPARG
SCHEMBL4821140 0.97 PPARA (0.42) CTSSCTSKCTSBPPARAPPARG
SCHEMBL13897545 0.94 CTSS (0.40) CTSSCTSKCTSBPPARAPPARG
SCHEMBL3875863 0.94 CTSS (0.40) CTSSCTSKCTSBPPARAPPARG
SCHEMBL3875861 0.94 CTSS (0.40) CTSSCTSKCTSBPPARAPPARG
SCHEMBL3864846 0.87 GGPS1 (0.39) CTSSCTSKCTSBALOX5GGPS1
SCHEMBL3864842 0.87 GGPS1 (0.39) CTSSCTSKCTSBALOX5GGPS1
SCHEMBL13897605 0.87 GGPS1 (0.39) CTSSCTSKCTSBALOX5GGPS1
SCHEMBL3867282 0.83 PPARA (0.58) CTSSCTSKCTSBPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ CTSS 3741/4885CTSK 3984/4885CTSB 2501/4885

“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.