SCHEMBL3701801

SCHEMBL3701801

CCOC(=O)CCNCC(=O)CSC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 2/20 0.35
LTA4H P09960 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL23270798 0.80 CYP1A2 (0.41) ALDH1A1KMT2AGAAMGAMSI
SCHEMBL170105 0.79 GAA (0.52) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL15893259 0.77 GAA (0.45) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL837763 0.76 ALDH1A1 (0.57) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL753960 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL8354123 0.74 GAA (0.48) ALDH1A1KMT2AHPGDGAAMGAM
SCHEMBL4464939 0.74 GAA (0.59) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL7429768 0.73 GAA (0.48) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL4335291 0.73 ALDH1A1 (0.50) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL12939654 0.73 GAA (0.52) ALDH1A1KMT2AHPGDMAPTGAA

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 ALDH1A1 4356/4885KMT2A 4171/4885HPGD 3759/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP ALDH1A1 4356/4885KMT2A 4171/4885HPGD 3759/4885

“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.