SCHEMBL4949677

SCHEMBL4949677

CC(C)(C)OC(=O)CCN(Cc1ccc(C(=N)NO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.45
HDAC3 O15379 6/20 0.45
HDAC2 Q92769 4/20 0.45
NCOR2 Q9Y618 4/20 0.45
HDAC6 Q9UBN7 14/20 0.39
SSTR4 P31391 1/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 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
SCHEMBL14238036 0.85 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1853715 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL5846695 0.81 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL4950941 0.81 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL5846696 0.78 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL4948320 0.77 HDAC3 (0.40) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL4948328 0.77 NSD2 (0.41) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL14090105 0.76 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL5884593 0.75 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2773953 0.75 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 HDAC1 1133/4885HDAC3 2886/4885HDAC2 1722/4885

“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.