SCHEMBL2135157

SCHEMBL2135157

COC(=O)C(CCCBr)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.32
▸ SLC6A3 Q01959 7/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ LDHA P00338 1/20 0.30
▸ LDHB P07195 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL2132672 0.85 UCHL1 (0.37) UCHL1SLC6A3L3MBTL1AAK1ESR1
SCHEMBL2128253 0.79 MT-CO2 (0.40) UCHL1SLC6A3L3MBTL1AAK1SLC6A2
SCHEMBL631558 0.72 SLC6A3 (0.50) SLC6A3L3MBTL1SLC6A2SLC6A4
SCHEMBL4468874 0.69 ALDH1A1 (0.44) UCHL1L3MBTL1
SCHEMBL2646900 0.69 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL29734873 0.69 ALDH1A1 (0.44) UCHL1L3MBTL1
SCHEMBL2131624 0.69 ALDH1A1 (0.43) UCHL1L3MBTL1
SCHEMBL30019267 0.69 ALDH1A1 (0.43) UCHL1L3MBTL1
SCHEMBL18300674 0.68 KMT2A (0.51) ESR1ESR2
SCHEMBL10650293 0.68 SLC6A3 (0.48) SLC6A3L3MBTL1SLC6A2SLC6A4

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 UCHL1 3564/4885SLC6A3 410/4885L3MBTL1 1548/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 UCHL1 3452/4885SLC6A3 318/4885L3MBTL1 3405/4885

“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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