SCHEMBL23413613

SCHEMBL23413613

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.37
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
BCL2 P10415 3/20 0.36
MCL1 Q07820 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACE P12821 1/20 0.34
S1PR3 Q99500 1/20 0.34
ADRB2 P07550 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL11262003 0.86 GRM4 (0.41) CTSSCTSKPPARGPPARAMAPT
SCHEMBL23413926 0.84 GRM8 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11260747 0.82 GPR35 (0.43) CTSSCTSKPPARGPPARAMAPT
SCHEMBL23414076 0.81 CTSS (0.44) CTSSCTSKPPARGPPARAACE
SCHEMBL23414379 0.81 S1PR3 (0.43) CTSSCTSKPPARGPPARAMAPT
SCHEMBL23414088 0.80 FOLH1 (0.42) CTSSCTSKPPARGPPARAACE
SCHEMBL3379479 0.79 PPARG (0.54) CTSSCTSKPPARGPPARAMAPT
SCHEMBL3379484 0.79 PPARG (0.54) CTSSCTSKPPARGPPARAMAPT
SCHEMBL2238030 0.78 ALOX5 (0.55) CTSSCTSKPPARGPPARAMAPT
SCHEMBL9255604 0.78 ALOX5 (0.55) CTSSCTSKPPARGPPARAMAPT

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-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 US disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 WO 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-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885PPARG 3224/4885

“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.