SCHEMBL3867265

SCHEMBL3867265

CC(C)(C)OC(=O)NC(CCCc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.49
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
CTSK P43235 5/20 0.41
CTSS P25774 3/20 0.41
CTSB P07858 1/20 0.41
GGPS1 O95749 1/20 0.41
SCN9A Q15858 1/20 0.41
PPARA Q07869 5/20 0.40

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
SCHEMBL4816786 0.96 C3AR1 (0.51) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL4816799 0.96 C3AR1 (0.51) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL13897511 0.94 C3AR1 (0.48) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL3863465 0.94 C3AR1 (0.48) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL3864792 0.87 FNTA (0.43) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL3867282 0.87 PPARA (0.58) C3AR1CTSKCTSSCTSBGGPS1
SCHEMBL3863211 0.87 GGPS1 (0.45) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL3865769 0.87 SCN9A (0.44) C3AR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL3866049 0.87 PPARA (0.58) CTSKCTSSCTSBGGPS1SCN9A
SCHEMBL13897522 0.87 PPARA (0.58) CTSKCTSSCTSBGGPS1SCN9A

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-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
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 C3AR1 3702/4885HDAC4 4049/4885HDAC1 2526/4885

“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.