SCHEMBL663367

SCHEMBL663367

CCC(C)[C@H](CC=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.40
ALDH1A1 P00352 3/20 0.37
MME P08473 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
FPR2 P25090 2/20 0.32
TP53 P04637 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
SCHEMBL661764 1.00 ACE (0.40) ACEALDH1A1MMECPA1ACE2
SCHEMBL6674991 1.00 ACE (0.40) ACEALDH1A1MMECPA1ACE2
SCHEMBL4347972 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL4351614 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL27849374 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL21017478 0.79 ACE (0.38) ACEALDH1A1MMECPA1ACE2
SCHEMBL12260419 0.79 ACE (0.46) ACEALDH1A1MMECPA1ACE2
SCHEMBL13040584 0.79 ACE (0.46) ACEALDH1A1MMECPA1ACE2
SCHEMBL2944717 0.79 ACE (0.46) ACEALDH1A1MMECPA1ACE2
SCHEMBL27984989 0.79 ACE (0.46) ACEALDH1A1MMECPA1ACE2

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 ACE 2/4885ALDH1A1 2104/4885MME 9/4885

“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.