SCHEMBL5548872

SCHEMBL5548872

CC(C)(C)OC(=O)N1CCNC(=O)C1c1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
BACE1 P56817 3/20 0.38
GPR119 Q8TDV5 3/20 0.37
NPC1 O15118 1/20 0.37
NR1H2 P55055 3/20 0.36
RXRA P19793 2/20 0.36
NR1H3 Q13133 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2539220 0.89 MAPK1 (0.46) MAPK1BACE1GPR119NR1H2RXRA
SCHEMBL1395322 0.87 POLB (0.47) POLBKMT2AMAPK1
SCHEMBL17055316 0.87 NR1H2 (0.45) POLBKMT2AMAPK1NR1H2NR1H3
SCHEMBL1673531 0.87 MEN1 (0.43) KMT2AMAPK1LMNA
SCHEMBL30872615 0.80 NR1H2 (0.36) POLBKMT2AMAPK1GPR119NR1H2
SCHEMBL1747847 0.80 DDB1 (0.41) POLBMAPK1BACE1GPR119DDB1
SCHEMBL11078567 0.77 MAPK1 (0.44) KMT2AMAPK1GPR119NR1H2RXRA
SCHEMBL28459224 0.76 GPR119 (0.50) MAPK1BACE1GPR119
SCHEMBL17596208 0.76 MAPK1 (0.45) MAPK1BACE1GPR119NR1H2RXRA
SCHEMBL15333427 0.76 PDE1C (0.43) POLBGPR119DDB1CRBN

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
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 POLB 3180/4885KMT2A 60/4885MAPK1 1056/4885

“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.