SCHEMBL5185349

SCHEMBL5185349

COC(=O)C1c2ccccc2C(O)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TACR1 P25103 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5185558 0.84 MMP2 (0.40) MMP2SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL5185566 0.84 MMP2 (0.40) MMP2SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL5185569 0.84 MMP2 (0.40) MMP2SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL5260323 0.83 ACE (0.42) POLB
SCHEMBL5187913 0.79 MMP2 (0.36) MMP2SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL5185521 0.78 HHAT (0.36) MMP2POLB
SCHEMBL4147781 0.78 KEAP1 (0.41) ALDH1A1POLB
SCHEMBL5187275 0.77 GPR183 (0.39) MMP2ALDH1A1TACR1POLB
SCHEMBL4147803 0.75 MMP2 (0.32) MMP2SLC6A4SLC6A3SLC6A2TACR1
SCHEMBL5185361 0.75 CPB1 (0.49) ALDH1A1POLB

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS MMP2 3974/4885SLC6A4 4171/4885SLC6A3 4061/4885

“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.