SCHEMBL7615095

SCHEMBL7615095

CCOC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@@H](NC(=O)CC)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.46
METAP1 P53582 2/20 0.46
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP8 Q14790 1/20 0.32

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
SCHEMBL3698620 1.00 METAP2 (0.46) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL7619001 0.86 METAP2 (0.48) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL3701798 0.86 METAP2 (0.48) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL3712516 0.85 CYP1A2 (0.54) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL7616871 0.85 CYP1A2 (0.54) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL3700040 0.80 KMT2A (0.45) METAP2METAP1HTTL3MBTL1ALDH1A1
SCHEMBL5020122 0.80 KMT2A (0.45) METAP2METAP1HTTL3MBTL1ALDH1A1
SCHEMBL7615739 0.80 METAP2 (0.55) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL3765470 0.80 METAP2 (0.55) METAP2METAP1HTTCYP1A2CYP2C9
SCHEMBL7617126 0.80 METAP2 (0.39) METAP2METAP1HTTCYP1A2CYP2C9

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 3 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
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 44/4885HTT 98/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP METAP2 62/4885METAP1 44/4885HTT 98/4885

“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.