SCHEMBL2126802

SCHEMBL2126802

COC(=O)Cc1cc(F)c(OC)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.56
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
TUBB1 Q9H4B7 2/20 0.41
ACACB O00763 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DBH P09172 1/20 0.39

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
SCHEMBL31075734 0.89 HSP90AB1 (0.49) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL28151235 0.85 TUBB1 (0.41) HSP90AB1TUBB1ACACBSMN1; SMN2CACNA1G
SCHEMBL2126253 0.83 THRB (0.46) ALDH1A1GAATUBB1THRBDBH
SCHEMBL7153647 0.83 CYP3A4 (0.43) TUBB1ACACBSMN1; SMN2CACNA1GCACNA1H
SCHEMBL2127228 0.83 HSP90AB1 (0.63) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL23380842 0.81 HSP90AB1 (0.56) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14939021 0.81 TUBB1 (0.39) TUBB1ACACBDBH
SCHEMBL17730733 0.81 CACNA1H (0.44) ALDH1A1GAAACACBSMN1; SMN2KMT2A
SCHEMBL21891794 0.80 HSP90AB1 (0.75) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL7131019 0.79 KMT2A (0.58) HSP90AB1ALDH1A1GAASMN1; SMN2KMT2A

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-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
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
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.