SCHEMBL5336885

SCHEMBL5336885

C=C(O[Si](C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PARP1 P09874 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PREP P48147 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL16554270 0.83 CA12 (0.40) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL23929766 0.81 PREP (0.39) CA12CA1CA9PREP
Lithium SCHEMBL30267047 0.80 PREP (0.38) CA12CA1CA9PREP
SCHEMBL5350432 0.78 CES2 (0.36) CES2CES1NPC1RAB9APARP1
SCHEMBL2982620 0.78 ESR1 (0.42) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL2989104 0.77 AKR1C3 (0.53) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL341880 0.77 KMT2A (0.53) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL7706827 0.77 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL5344756 0.76 IRAK4 (0.34) RAB9A
SCHEMBL2981524 0.76 HSP90AA1 (0.43) CA12CA1CA9HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205291-B2 High mouth absorption; antibiotics against gramnegative, grampositive bacteria espscially Staphlococcus pneumonia, Hemophilus influenza DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-17 US disclosed
US-20050020566-A1 Novel carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-01-27 US disclosed
EP-1443047-A1 NOVEL CARBAPENEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-08-04 EP 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-20050020566-A1 Novel carbapenem compounds HPN, PRSS1, BPGM CA12 2433/4885CA1 4532/4885CA9 966/4885

“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.