SCHEMBL8430348

SCHEMBL8430348

CC(C)C[C@@H](C=O)N[C@@H](Cc1nc(Cc2ccccc2)cs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
CTSB P07858 1/20 0.39
MME P08473 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
LTA4H P09960 1/20 0.37
CTSK P43235 1/20 0.37
CAPN1 P07384 1/20 0.37

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
SCHEMBL8430329 0.93 HDAC1 (0.46) ACEHDAC1HDAC6CTSBMME
SCHEMBL8254276 0.88 HDAC1 (0.46) ACEHDAC1HDAC6MMEHDAC8
SCHEMBL5869899 0.88 HDAC1 (0.46) ACEHDAC1HDAC6MMEHDAC8
SCHEMBL8430008 0.87 ACE2 (0.42) ACEHDAC1HDAC6
SCHEMBL8430716 0.85 MAPK1 (0.43) ACEHDAC1HDAC6HDAC8
SCHEMBL8430327 0.81 MEN1 (0.34) ACEHDAC1HDAC6
SCHEMBL8255027 0.81 HDAC1 (0.50) HDAC1HDAC6MMEHDAC8LTA4H
SCHEMBL8249245 0.81 HDAC1 (0.50) HDAC1HDAC6MMEHDAC8LTA4H
SCHEMBL5870055 0.81 HDAC1 (0.50) HDAC1HDAC6MMEHDAC8LTA4H
SCHEMBL8430334 0.80 ACE2 (0.41) ACEHDAC1HDAC6

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-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 ACE 1/4885HDAC1 236/4885HDAC6 739/4885

“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.