SCHEMBL7620286

SCHEMBL7620286

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NOD1 Q9Y239 3/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CAD P27708 1/20 0.36

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
SCHEMBL7614123 0.90 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL7617126 0.87 METAP2 (0.39) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL7619577 0.85 LMNA (0.35) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL9027890 0.84 KMT2A (0.56) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL7615217 0.83 PSMB5 (0.48)
SCHEMBL4951783 0.83 NOD1 (0.46) CYP2C9POLBNOD1MAPT
SCHEMBL7612584 0.81 HDAC3 (0.51) KMT2APOLBL3MBTL1ALDH1A1GAA
SCHEMBL5020136 0.80 L3MBTL1 (0.49) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL5020128 0.77 HDAC3 (0.51) SMN1; SMN2GAA
SCHEMBL7620297 0.77 MEN1 (0.47) KMT2A

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-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 CYP1A2 4852/4885CYP2C9 4659/4885CYP2C19 4730/4885

“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.