SCHEMBL7617136

SCHEMBL7617136

CCCCSC[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.48
ERAP2 Q6P179 2/20 0.48
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP8 Q14790 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
POLB P06746 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL7615422 0.91 HDAC3 (0.44) CASP1CASP3CASP7CASP8HDAC3
SCHEMBL7614132 0.90 ACE (0.52) ERAP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7614816 0.87 ACE (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3702371 0.83 POLB (0.45) LNPEPERAP2CASP1CASP3CASP7
SCHEMBL7614061 0.83 POLB (0.45) LNPEPERAP2CASP1CASP3CASP7
SCHEMBL7619581 0.82 ACE (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7610347 0.80 L3MBTL1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7612584 0.80 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5020128 0.80 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7614128 0.78 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP LNPEP 9/4885ERAP2 540/4885CASP1 448/4885

“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.