SCHEMBL8255152

SCHEMBL8255152

CCCC(N[C@@H](CCSC)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL5870088 1.00 RNPEP (0.47) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL8928051 0.92 RNPEP (0.54) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL8255575 0.89 RNPEP (0.47) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL5869735 0.89 RNPEP (0.47) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL10735795 0.85 CHRM1 (0.52) MAPK1ALOX15NPSR1KDM4ECA2
SCHEMBL15592739 0.82 LMNA (0.51) RNPEPLMNAALDH1A1MAPK1NPSR1
SCHEMBL9911535 0.82 LMNA (0.51) RNPEPLMNAALDH1A1MAPK1NPSR1
SCHEMBL5869722 0.81 FOLH1 (0.58) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL8248682 0.81 FOLH1 (0.58) RNPEPLMNAALDH1A1NPSR1KDM4E
SCHEMBL29191771 0.81 HDAC2 (0.43) RNPEPLMNAALDH1A1MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 RNPEP 223/4885LMNA 3320/4885ALDH1A1 1305/4885

“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.