SCHEMBL5020128

SCHEMBL5020128

CCCCSC[C@H](NC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CYP26A1 O43174 1/20 0.46
CTSG P08311 4/20 0.44
PRSS1 P07477 3/20 0.44
CTRB1 P17538 3/20 0.44
CMA1 P23946 3/20 0.44
CTSL P07711 1/20 0.43
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7610347 0.90 L3MBTL1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7614132 0.89 ACE (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7615422 0.89 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7620297 0.89 MEN1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7614128 0.88 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4951769 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10131060 0.84 CYP26A1 (0.51) CYP26A1CTSGPRSS1CTRB1CMA1
SCHEMBL7614816 0.83 ACE (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2673046 0.81 CYP26A1 (0.48) CYP26A1CTSLELANESMN1; SMN2GAA
SCHEMBL12020054 0.81 CYP26A1 (0.48) CYP26A1CTSLSMN1; SMN2GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-17 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-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP HDAC3 3515/4885HDAC4 3765/4885HDAC1 3569/4885

“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.