SCHEMBL4159928

SCHEMBL4159928

NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)N(CCc1c[nH]c2ccccc12)C(=O)Cc1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC5R P33032 13/20 0.39
MC3R P41968 11/20 0.39
MC4R P32245 9/20 0.39
GAA P10253 1/20 0.37
MC1R Q01726 1/20 0.35
CES1 P23141 1/20 0.34

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
SCHEMBL4159627 0.86 CES1 (0.47) CES1
SCHEMBL4159925 0.77 KMT2A (0.45)
SCHEMBL4174443 0.74 KDM4E (0.38) GAACES1
SCHEMBL4606140 0.73 CES1 (0.35) MC3RMC4RCES1
Trifluoroacetic Acid SCHEMBL4163744 0.72 HDAC1 (0.34) CES1
SCHEMBL4174427 0.72 SIGMAR1 (0.36) CES1
SCHEMBL4159624 0.71 CES1 (0.47) CES1
SCHEMBL4173034 0.71 CES1 (0.33) CES1
SCHEMBL4166187 0.70 CES1 (0.33) CES1
SCHEMBL4158069 0.69 CES1 (0.46) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 MC5R 1297/4885MC3R 2393/4885MC4R 1573/4885

“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.