SCHEMBL4156142

SCHEMBL4156142

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NC1CCCC1)c1cn[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 6/20 0.36
HDAC4 P56524 4/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC2 Q92769 2/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ACKR3 P25106 1/20 0.34
EHMT2 Q96KQ7 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
SCHEMBL4169482 0.84 ALDH1A1 (0.45) L3MBTL1HDAC1HDAC4HDAC6HDAC2
SCHEMBL4166897 0.83 PADI4 (0.41) ROCK2HDAC1HDAC2
SCHEMBL4156708 0.79 CCKBR (0.34) HDAC1HDAC4HDAC6HDAC2MAPK14
SCHEMBL5121747 0.76 HDAC1 (0.45) ROCK2L3MBTL1HDAC1HDAC4HDAC6
SCHEMBL27715247 0.76 HDAC1 (0.45) ROCK2L3MBTL1HDAC1HDAC4HDAC6
SCHEMBL4159878 0.75 ROCK2 (0.45) ROCK2HDAC1HDAC2
SCHEMBL4166903 0.75 CES1 (0.36) ROCK2HDAC1HDAC2
SCHEMBL4165139 0.74 HDAC1 (0.41) L3MBTL1HDAC1HDAC4HDAC6HDAC2
SCHEMBL4174424 0.73 SIGMAR1 (0.38) L3MBTL1HDAC1HDAC4HDAC6HDAC2
SCHEMBL4156148 0.72 CES1 (0.31) HDAC1HDAC2

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 ROCK2 2524/4885L3MBTL1 3032/4885HDAC1 2/4885

“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.