SCHEMBL2126332

SCHEMBL2126332

COC(=O)Cc1cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.45
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ PDK2 Q15119 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CMA1 P23946 1/20 0.32

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
SCHEMBL3426764 0.85 THRB (0.37) —
SCHEMBL491756 0.84 HSP90AB1 (0.49) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL2126108 0.82 CYP4F2 (0.43) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL30154424 0.82 CYP4F2 (0.43) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL4432991 0.80 HSP90AB1 (0.45) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL13745300 0.79 HSP90AB1 (0.44) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL6471151 0.79 HSP90AB1 (0.59) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL2126802 0.78 HSP90AB1 (0.56) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL154477 0.78 HSP90AB1 (0.43) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1
SCHEMBL14077192 0.78 HSP90AB1 (0.43) HSP90AB1CYP4F2CYP4A11PDK2ALDH1A1

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 12 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
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
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 HSP90AB1 1120/4885CYP4F2 382/4885CYP4A11 711/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 HSP90AB1 763/4885CYP4F2 583/4885CYP4A11 641/4885

“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.

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