SCHEMBL3701798

SCHEMBL3701798

CCOC(=O)C(CSC(C)(C)C)NC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CAD P27708 1/20 0.37
NOD1 Q9Y239 3/20 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
SCHEMBL7619001 1.00 METAP2 (0.48) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL4537405 0.90 METAP2 (0.43) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL7620116 0.90 METAP2 (0.43) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL7615095 0.86 METAP2 (0.46) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL3698620 0.86 METAP2 (0.46) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL5020061 0.84 METAP2 (0.40) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL3703677 0.84 METAP2 (0.40) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL5020136 0.83 L3MBTL1 (0.49) METAP2METAP1CYP2C9CYP1A2CYP2C19
SCHEMBL7617954 0.82 PSMB5 (0.50) CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL3701701 0.82 PSMB5 (0.50) CYP2C9CYP2C19KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8624052-B2 S-t-butyl protected cysteine di-peptide analogs and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
EP-2638005-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
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 (2 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-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP METAP2 62/4885METAP1 44/4885CYP2C9 4659/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP METAP2 62/4885METAP1 44/4885CYP2C9 4659/4885

“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.