SCHEMBL7616871

SCHEMBL7616871

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
PSENEN Q9NZ42 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CTSL P07711 1/20 0.40
BACE1 P56817 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL3712516 1.00 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSS
SCHEMBL7615095 0.85 METAP2 (0.46) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL3698620 0.85 METAP2 (0.46) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7622853 0.82 BACE1 (0.49) CTSSBACE1
SCHEMBL3701471 0.82 BACE1 (0.49) CTSSBACE1
SCHEMBL29051024 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSS
SCHEMBL30900200 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSS
SCHEMBL29051026 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSS
SCHEMBL29488040 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSS
SCHEMBL29193617 0.80 CTSS (0.52) CYP1A2CYP2C9CYP2C19HTTCTSS

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