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SCHEMBL2789439

SCHEMBL2789439

Cc1c(-c2cc(F)cc(F)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.54
▸ GLRB P48167 1/20 0.54
▸ CA2 P00918 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ LDHA P00338 2/20 0.33
▸ LDHB P07195 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABBR2 O75899 1/20 0.33
▸ GABBR1 Q9UBS5 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
SCHEMBL2787696 0.87 GLRA3 (0.53) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL2789396 0.87 GLRA3 (0.49) GLRA3GLRBDHODH
SCHEMBL4122027 0.85 GLRA3 (0.69) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL4132943 0.83 GLRA3 (0.51) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL2789477 0.82 GLRA3 (0.57) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL2789496 0.82 GLRA3 (0.50) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL2789240 0.81 GLRA3 (0.49) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL4115603 0.81 GLRA3 (0.51) GLRA3GLRBCA2CA1CYP2C9
SCHEMBL2790702 0.79 GLRA3 (0.47) GLRA3GLRBCYP2C9CYP2C19SMN1; SMN2
SCHEMBL2788792 0.79 GLRA3 (0.65) GLRA3GLRBCA2CA1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 — — US claimed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 — — EP claimed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 — — WO claimed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 — — US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 — — EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 — — 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 (1 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A GLRA3 1540/4885GLRB 1915/4885CA2 1139/4885

“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.