SCHEMBL3898407

SCHEMBL3898407

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)C1CCCC[N]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 3/20 0.45
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
CACNA1B Q00975 3/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL4730477 0.83 ITGB3 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL4233928 0.76 CACNA1B (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL192185 0.76 CACNA1B (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL376117 0.76 CACNA1B (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL30089915 0.75 CACNA1B (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL6842296 0.75 CACNA1B (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL14066376 0.74 CACNA1B (0.44) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1324835 0.74 FOLH1 (0.56) CTSKCTSS
SCHEMBL2769978 0.74 FOLH1 (0.56) CTSKCTSS
SCHEMBL1318658 0.74 FOLH1 (0.56) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340517-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2016-05-17 US disclosed
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2013-08-29 US disclosed
US-8440653-B2 3-substituted-1,4-diazepan-2-one melanocortin-5 receptor antagonists MIMETICA PTY LTD (AU) 2013-05-14 US disclosed
US-8377925-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2013-02-19 US disclosed
US-20110059952-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2011-03-10 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 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 (3 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-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CTSK 2694/4885CTSS 3094/4885HDAC4 1651/4885
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CTSK 2694/4885CTSS 3094/4885HDAC4 1651/4885
US-20110059952-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R CTSK 3148/4885CTSS 3918/4885HDAC4 1567/4885

“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.