SCHEMBL29313014

SCHEMBL29313014

CCC(C)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.53
ACE P12821 5/20 0.53
CPA1 P15085 5/20 0.53
ACE2 Q9BYF1 5/20 0.53
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP1 P03956 2/20 0.45

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
SCHEMBL29313031 0.89 HDAC3 (0.55) MMEACECPA1ACE2ALDH1A1
SCHEMBL29311759 0.87 ALDH1A1 (0.51) MMEACECPA1ACE2ALDH1A1
SCHEMBL22457647 0.82 MME (0.67) MMEACECPA1ACE2
SCHEMBL16254302 0.82 NPC1 (0.53) MMEACECPA1ACE2ALDH1A1
SCHEMBL10154691 0.82 ALDH1A1 (0.53) MMEACECPA1ACE2ALDH1A1
SCHEMBL27519953 0.82 ACE (0.52) MMEACECPA1ACE2HDAC3
SCHEMBL23306955 0.81 MME (0.53) MMEACECPA1ACE2MMP9
SCHEMBL29311875 0.81 ATM (0.48) MMEACECPA1ACE2ALDH1A1
SCHEMBL22962378 0.81 MMP1 (0.64) MMP9MMP8MMP1MMP2MMP3
SCHEMBL19361059 0.81 MMP1 (0.64) MMP9MMP8MMP1MMP2MMP3

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-20240228671-A1 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-07-11 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-20240228671-A1 POLYPEPTIDYL LINKERS VIP, DNPEP, PREP MME 38/4885ACE 40/4885CPA1 39/4885

“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.