SCHEMBL23200728

SCHEMBL23200728

COc1ccc(C(O)C(N)C(=O)O)c(Cl)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
AOC3 Q16853 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA1A P35348 2/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2A P08913 1/20 0.37
BLM P54132 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 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
SCHEMBL15105529 0.85 ACHE (0.44) ACHEAOC3TDP1MAPTKDM4E
SCHEMBL9320155 0.81 ACHE (0.52) ACHEMAPTKDM4EPOLBMEN1
SCHEMBL9320152 0.76 ACHE (0.58) ACHEKDM4EADRA1APOLBCYP2D6
SCHEMBL9320074 0.75 ADRA1A (0.68) ACHEHSD17B10ADRA1ACYP2D6ADRA2A
SCHEMBL9320762 0.75 ACHE (0.56) ACHEMAPTHSD17B10ADRA1ACYP2D6
SCHEMBL8993163 0.74 CYP2D6 (0.46) AOC3ADRA1ACYP2D6ADRA2ABLM
SCHEMBL9320763 0.73 ACHE (0.58) ACHETDP1KDM4EADRA1APOLB
SCHEMBL1520565 0.73 ADRA1A (0.54) AOC3MAPTADRA1AADRA2ABLM
SCHEMBL31070923 0.72 TNF (0.43) TDP1MAPTKDM4EHSD17B10POLB
SCHEMBL15105506 0.72 ACHE (0.43) ACHETDP1MAPTKDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 CN 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 (2 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ACHE 479/4885AOC3 4440/4885TDP1 1223/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ACHE 479/4885AOC3 4440/4885TDP1 1223/4885

“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.