SCHEMBL24259709

SCHEMBL24259709

CCNC(=O)C(CC(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 5/20 0.51
▸ TDP1 Q9NUW8 2/20 0.41
▸ MME P08473 3/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ CASP1 P29466 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL4941976 0.80 TSHR (0.39) ECE1MMEACECPA1ACE2
SCHEMBL13575644 0.80 TSHR (0.39) ECE1MMEACECPA1ACE2
SCHEMBL13575688 0.80 TSHR (0.39) ECE1MMEACECPA1ACE2
SCHEMBL13318045 0.79 ECE1 (0.56) ECE1TDP1MMEACECPA1
SCHEMBL21566764 0.78 ECE1 (0.46) ECE1TDP1CASP1ALDH1A1LMNA
SCHEMBL13450167 0.78 ALDH1A1 (0.39) ECE1TDP1MMEACECPA1
SCHEMBL4400595 0.77 ECE1 (0.37) ECE1ALDH1A1LMNAMAPTTSHR
SCHEMBL22952374 0.77 ECE1 (0.44) ECE1TDP1MMEACECPA1
SCHEMBL19703836 0.77 ECE1 (0.44) ECE1TDP1MMECASP1ALDH1A1
SCHEMBL13461384 0.77 CA1 (0.47) ECE1TDP1MMELMNAMAPT

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-20230265459-A1 Compositions Useful in Treatment of Spinal Muscular Atrophy THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2023-08-24 — — US disclosed
EP-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 — — EP 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-20230265459-A1 Compositions Useful in Treatment of Spinal Muscular Atrophy SMN1; SMN2, SRP68, HNRNPH1 ECE1 4376/4885TDP1 917/4885MME 2086/4885

“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.

Send feedback