SCHEMBL19018271

SCHEMBL19018271

O=C(O)C(C1CCCC1)[C@H](Cc1ccccc1)c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.37
ACE P12821 3/20 0.37
CPA1 P15085 3/20 0.37
ACE2 Q9BYF1 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CPA3 P15088 1/20 0.35
FOLH1 Q04609 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34
HSD17B10 Q99714 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
SCHEMBL17250619 1.00 MME (0.37) MMEACECPA1ACE2TDP1
SCHEMBL19008581 0.99 MME (0.38) MMEACECPA1ACE2TDP1
SCHEMBL19018034 0.90 MME (0.37) MMETDP1CYP1A2CPA3FOLH1
SCHEMBL17250639 0.90 MME (0.37) MMETDP1CYP1A2CPA3FOLH1
SCHEMBL19018283 0.88 ACE (0.33) MMEACECPA1ACE2TDP1
SCHEMBL17250865 0.87 MME (0.38) MMEACECPA1ACE2ALDH1A1
SCHEMBL19018040 0.87 MME (0.38) MMEACECPA1ACE2ALDH1A1
SCHEMBL19018256 0.85 BCL2L1 (0.36)
SCHEMBL17250494 0.85 BCL2L1 (0.36)
SCHEMBL17250493 0.84 JAK3 (0.38)

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-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 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-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD MME 257/4885ACE 88/4885CPA1 803/4885

“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.