SCHEMBL3379320

SCHEMBL3379320

CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
CTSK P43235 2/20 0.51
SYK P43405 1/20 0.51
CACNA1B Q00975 1/20 0.51
PPARA Q07869 2/20 0.48
CTSL P07711 2/20 0.47
ATM Q13315 2/20 0.46
MAPT P10636 1/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL17724519 0.91 CTSS (0.60) CTSSCTSKSYKPPARACTSL
SCHEMBL23837230 0.91 CTSS (0.60) CTSSCTSKSYKPPARACTSL
SCHEMBL4689227 0.90 CTSS (0.53) CTSSCTSKSYKPPARACTSL
SCHEMBL4689229 0.90 CTSS (0.53) CTSSCTSKSYKPPARACTSL
SCHEMBL9042226 0.90 CTSS (0.53) CTSSCTSKSYKPPARACTSL
SCHEMBL5557488 0.89 CTSS (0.52) CTSSCTSKSYKPPARACTSL
SCHEMBL192406 0.88 CTSS (0.54) CTSSCTSKSYKPPARACTSL
SCHEMBL192405 0.88 CTSS (0.54) CTSSCTSKSYKPPARACTSL
SCHEMBL7561033 0.87 CTSS (0.51) CTSSCTSKSYKCACNA1BPPARA
SCHEMBL23619660 0.87 CTSS (0.51) CTSSCTSKSYKCACNA1BPPARA

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 10 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
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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 (4 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF CTSS 1187/4885CTSK 1484/4885SYK 921/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885SYK 4230/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CTSS 1293/4885CTSK 2792/4885SYK 4230/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSS 1869/4885CTSK 1094/4885SYK 927/4885

“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.