SCHEMBL3345526

SCHEMBL3345526

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1NCCS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
PDGFRB P09619 7/20 0.38
KDR P35968 7/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALPL P05186 1/20 0.36
LRRK2 Q5S007 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
HIF1A Q16665 2/20 0.32
ROCK2 O75116 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL3448345 0.86 DGAT1 (0.41) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL21199139 0.81 DGAT1 (0.46) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL3447654 0.79 ALDH1A1 (0.44) HIF1A
SCHEMBL3344583 0.77 OPRK1 (0.42)
SCHEMBL29858041 0.77 PDGFRB (0.50) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL21199260 0.77 DGAT1 (0.44) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL359635 0.77 PDGFRB (0.50) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL19806132 0.75 DGAT1 (0.44) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL30963226 0.75 DGAT1 (0.44) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL17464375 0.75 DGAT1 (0.44) DGAT1PDGFRBKDRGSK3AGSK3B

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD DGAT1 3787/4885PDGFRB 2785/4885KDR 4837/4885

“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.