SCHEMBL3703677

SCHEMBL3703677

CCC(=O)NC(CSC(C)(C)C)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5020061 1.00 METAP2 (0.40) METAP2METAP1KDM4EALDH1A1MAPT
SCHEMBL7619001 0.84 METAP2 (0.48) METAP2METAP1KDM4EALDH1A1MAPT
SCHEMBL3701798 0.84 METAP2 (0.48) METAP2METAP1KDM4EALDH1A1MAPT
SCHEMBL5020111 0.84 CYP2C9 (0.36) KDM4EALDH1A1MAPTRXFP1CYP2C9
SCHEMBL7619577 0.77 LMNA (0.35) METAP2METAP1KDM4EALDH1A1MAPT
SCHEMBL5020132 0.76 CYP2C9 (0.37) KDM4EALDH1A1MAPTCYP2C9SMN1; SMN2
SCHEMBL4537405 0.75 METAP2 (0.43) METAP2METAP1KDM4EALDH1A1MAPT
SCHEMBL7620116 0.75 METAP2 (0.43) METAP2METAP1KDM4EALDH1A1MAPT
SCHEMBL7615095 0.75 METAP2 (0.46) METAP2METAP1ALDH1A1MAPTCYP2C9
SCHEMBL7611432 0.75 CYP26A1 (0.48) KDM4EALDH1A1MAPTCYP2C19HTT

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 44/4885KDM4E 4723/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP METAP2 62/4885METAP1 44/4885KDM4E 4723/4885

“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.