SCHEMBL2126698

SCHEMBL2126698

COC(=O)C(C)c1cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.44
▸ CXCR1 P25024 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ MAOB P27338 4/20 0.34
▸ MT-CO2 P00403 1/20 0.34
▸ APP P05067 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FOLH1 Q04609 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
SCHEMBL1822574 0.78 CXCR2 (0.68) CXCR2CXCR1PTGS1PTGS2MT-CO2
SCHEMBL1820336 0.77 PTGS1 (0.53) CXCR2CXCR1PTGS1PTGS2MT-CO2
SCHEMBL24991968 0.76 CXCR2 (0.54) CXCR2CXCR1PTGS1PTGS2AKR1C3
SCHEMBL29960316 0.76 CXCR2 (0.54) CXCR2CXCR1PTGS1PTGS2AKR1C3
SCHEMBL16219340 0.76 CXCR2 (0.48) CXCR2CXCR1PTGS1PTGS2APP
SCHEMBL16207566 0.76 CXCR2 (0.48) CXCR2CXCR1PTGS1PTGS2APP
SCHEMBL17831703 0.74 CXCR2 (0.46) CXCR2CXCR1PTGS1PTGS2MT-CO2
SCHEMBL2124984 0.74 MT-CO2 (0.44) PTGS1PTGS2MAOBMT-CO2APP
SCHEMBL2126332 0.73 HSP90AB1 (0.45) CXCR2
SCHEMBL777316 0.71 HTR1A (0.34) CXCR2

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 CXCR2 1382/4885CXCR1 671/4885PTGS1 2663/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 CXCR2 3040/4885CXCR1 2512/4885PTGS1 1141/4885

“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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