SCHEMBL4948320

SCHEMBL4948320

CC(=O)Oc1ccc(CN(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
ELANE P08246 3/20 0.38
LMNA P02545 2/20 0.36
SSTR4 P31391 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SRD5A1 P18405 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
NR1D1 P20393 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4950941 0.84 HDAC1 (0.46) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL4954544 0.82 HDAC1 (0.37) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL4948328 0.80 NSD2 (0.41) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL4949677 0.77 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL6676710 0.77 POLB (0.47) HDAC3HDAC1HDAC2NCOR2MAPT
SCHEMBL4946475 0.77 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL5884593 0.75 HDAC1 (0.53) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL13166749 0.74 SSTR4 (0.45) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL8520811 0.74 RAB9A (0.46) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL13547362 0.74 SSTR4 (0.49) HDAC3HDAC1HDAC2NCOR2SSTR4

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 HDAC3 2886/4885HDAC1 1133/4885HDAC2 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.