SCHEMBL23201009

SCHEMBL23201009

COC(=O)C(NC(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.44
CTSK P43235 2/20 0.44
MAPK1 P28482 2/20 0.42
KLK5 Q9Y337 2/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
METAP1 P53582 1/20 0.38
S1PR3 Q99500 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPA1 O75762 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL2394550 0.90 KDM4E (0.44) CTSSCTSKMAPK1KLK5KMT2A
SCHEMBL2394556 0.90 KDM4E (0.44) CTSSCTSKMAPK1KLK5KMT2A
SCHEMBL12310229 0.90 KDM4E (0.44) CTSSCTSKMAPK1KLK5KMT2A
Lithium Ion SCHEMBL23200818 0.85 CTSS (0.43) CTSSCTSKATMMETAP1S1PR3
SCHEMBL15746895 0.84 CTSS (0.45) CTSSCTSKATMMETAP1S1PR3
SCHEMBL29715848 0.84 TRPA1 (0.44) CTSSCTSKMAPK1GAAATM
SCHEMBL14841096 0.82 ATM (0.45) CTSKKMT2AATMTRPA1MAPT
SCHEMBL14841095 0.82 ATM (0.45) CTSKKMT2AATMTRPA1MAPT
SCHEMBL1095763 0.81 CTSK (0.63) CTSSCTSKKLK5MEN1KMT2A
SCHEMBL1095762 0.81 CTSK (0.63) CTSSCTSKKLK5MEN1KMT2A

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 6 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-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 WO 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 (3 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 CTSS 1293/4885CTSK 2792/4885MAPK1 4129/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885MAPK1 4129/4885
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885MAPK1 4129/4885

“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.