Sugi Predict

Sugi Predict / Compounds / SCHEMBL2134378

SCHEMBL2134378

SCHEMBL2134378

COC(=O)Cc1ccc(-c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.39
▸ ROCK1 Q13464 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ CHEK1 O14757 4/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ F11 P03951 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ LPL P06858 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
SCHEMBL9058308 0.86 PDK2 (0.35) PDK2ALDH1A1GAAGFERCHEK1
SCHEMBL5532641 0.83 ROCK1 (0.40) PDK2ROCK1ALDH1A1GAAGFER
SCHEMBL2125414 0.81 HSP90AB1 (0.49) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL5537182 0.79 CYP4F2 (0.41) PDK2ALDH1A1CHEK1PDGFRBKDR
SCHEMBL5538625 0.79 ROCK1 (0.43) PDK2ROCK1CHEK1PDGFRBKDR
SCHEMBL2131624 0.78 ALDH1A1 (0.43) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL30019267 0.78 ALDH1A1 (0.43) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL25280776 0.77 HSP90AB1 (0.43) ALDH1A1GAAGFERHIF1AAAK1
SCHEMBL30464569 0.77 HSP90AB1 (0.43) ALDH1A1GAAGFERHIF1AAAK1
SCHEMBL24410561 0.76 ROCK1 (0.46) ROCK1ALDH1A1GAAGFERHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 — — US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 — — US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 — — US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 — — US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 — — US disclosed
EP-2443096-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 AstraZeneca AB (SE) 2012-04-25 — — EP disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 — — US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 — — US disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 — — WO disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 — — 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 (2 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-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 PDK2 885/4885ROCK1 2583/4885ALDH1A1 699/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 PDK2 177/4885ROCK1 4195/4885ALDH1A1 208/4885

“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.