SCHEMBL20518685

SCHEMBL20518685

CC(C)(C)[SiH2]OC(C)(C)c1cn(CC(=O)O)nn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
SRC P12931 1/20 0.30
MAPK14 Q16539 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20518659 0.84 GLA (0.33) TP53
SCHEMBL18367579 0.79 NR1H4 (0.41) NR1H4SRCMAPK14CYP4F2CYP4A11
SCHEMBL20518651 0.73 ALDH1A1 (0.31)
SCHEMBL12985256 0.72 NTRK1 (0.37) MAPK14HTT
SCHEMBL20518699 0.71 GAA (0.40) HTT
SCHEMBL20518661 0.69 PTGS2 (0.41)
SCHEMBL908481 0.67 LMNA (0.43) NR1H4SRCMAPK14HTT
SCHEMBL8931483 0.66 HRH4 (0.41) NR1H4SRC
SCHEMBL18999235 0.66 HRH4 (0.39) NR1H4SRC
Hydrochloric Acid SCHEMBL1375015 0.65 LMNA (0.42) NR1H4SRCMAPK14HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS NR1H4 2264/4885MDM4 4785/4885TP53 4665/4885

“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.