SCHEMBL3348525

SCHEMBL3348525

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC(C)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
DGAT1 O75907 1/20 0.38
ALPL P05186 1/20 0.36
ROCK2 O75116 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F11 P03951 1/20 0.35
ACACB O00763 1/20 0.34
AXL P30530 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NOX1 Q9Y5S8 3/20 0.34
MEN1 O00255 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
SCHEMBL789862 0.80 ALPL (0.46) DGAT1ALPLROCK2KDM4EALDH1A1
SCHEMBL29604061 0.80 ALPL (0.46) DGAT1ALPLROCK2KDM4EALDH1A1
SCHEMBL3348530 0.80 DGAT1 (0.40) DGAT1ALPLROCK2KDM4EALDH1A1
SCHEMBL3345810 0.78 LRRK2 (0.43) RORCKDM4EALDH1A1GLAGAA
SCHEMBL3344570 0.76 RORC (0.41) RORCKDM4EALDH1A1GLAGAA
SCHEMBL3377209 0.75 DGAT1 (0.42) DGAT1ALPLROCK2PDGFRBKDR
SCHEMBL3450320 0.75 DGAT1 (0.42) DGAT1ALPLROCK2KDM4EALDH1A1
SCHEMBL26916580 0.74 PDGFRB (0.39) PDGFRBKDRAAK1
SCHEMBL26916586 0.74 PDGFRB (0.39) PDGFRBKDRAAK1
SCHEMBL19806132 0.74 DGAT1 (0.44) DGAT1ALPLROCK2PDGFRBKDR

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 5 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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
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
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 RORC 321/4885DGAT1 3787/4885ALPL 440/4885

“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.