SCHEMBL18735657

SCHEMBL18735657

COC(=O)C(C)(C)ONC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA2 P00918 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL31080044 0.89 DGAT1 (0.45) DGAT1TP53RAB9ALMNAKMT2A
SCHEMBL1578569 0.82 PKM (0.41) DGAT1KMT2ACA12CA14CA2
SCHEMBL18735658 0.81 L3MBTL1 (0.39) DGAT1KMT2ACA12CA14CA2
SCHEMBL191649 0.80 CA12 (0.41) DGAT1KMT2ACA12CA14CA2
SCHEMBL1579422 0.75 TDP1 (0.43) DGAT1KMT2ACA12CA14CA2
SCHEMBL13324201 0.75 DGAT1 (0.46) DGAT1KMT2ACA12CA14CA2
SCHEMBL487344 0.75 DGAT1 (0.46) DGAT1KMT2ACA12CA14CA2
SCHEMBL24074502 0.72 TDP1 (0.36) DGAT1KMT2ACA12CA14CA2
SCHEMBL5498919 0.71 DGAT1 (0.48) DGAT1KMT2ACA12CA14CA2
SCHEMBL20125284 0.71 TDP1 (0.43) DGAT1KMT2ACA12CA14CA2

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-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 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-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM DGAT1 2035/4885TP53 4819/4885RAB9A 961/4885

“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.