SCHEMBL22649181

SCHEMBL22649181

CCC(=O)C(C)NC(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL960219 0.78 ALDH1A1 (0.40) CYP2C9MMEACECPA1ACE2
SCHEMBL31036601 0.78 CYP2D6 (0.37) CYP2C9MMEACECPA1ACE2
SCHEMBL11782126 0.78 ALDH1A1 (0.40) CYP2C9MMEACECPA1ACE2
SCHEMBL5744109 0.78 CYP2C9 (0.48) CYP2C9MMEACECPA1ACE2
SCHEMBL12824659 0.78 ALDH1A1 (0.40) CYP2C9MMEACECPA1ACE2
SCHEMBL13545130 0.76 CAD (0.36) CYP2C9MMEACECPA1ACE2
SCHEMBL22372624 0.76 MME (0.38) CYP2C9MMEACECPA1ACE2
SCHEMBL8915661 0.74 ACACB (0.35) CYP2C9MMP1MMP2MMP3
SCHEMBL14816710 0.74 ACACB (0.35) CYP2C9MMP1MMP2MMP3
SCHEMBL8917694 0.74 ACACB (0.35) CYP2C9MMP1MMP2MMP3

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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP CYP2C9 4664/4885MME 32/4885ACE 101/4885

“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.