SCHEMBL2787696

SCHEMBL2787696

Cc1c(-c2ccc(F)cc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.53
GLRB P48167 1/20 0.53
DHODH Q02127 10/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
DHFR P00374 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
MAPK14 Q16539 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RARB P10826 1/20 0.35

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
SCHEMBL2789439 0.87 GLRA3 (0.54) GLRA3GLRBDHODHPTGS1PTGS2
SCHEMBL2789477 0.87 GLRA3 (0.57) GLRA3GLRBPTGS1PTGS2MEN1
SCHEMBL2789496 0.86 GLRA3 (0.50) GLRA3GLRBDHODHCA1CA2
SCHEMBL2789396 0.85 GLRA3 (0.49) GLRA3GLRBDHODHGPR35
SCHEMBL2789240 0.85 GLRA3 (0.49) GLRA3GLRBDHODHPTGS1PTGS2
SCHEMBL2790755 0.84 GLRA3 (0.50) GLRA3GLRBDHODHCA1CA2
SCHEMBL2789471 0.84 GLRA3 (0.50) GLRA3GLRBDHODHPTGS1PTGS2
SCHEMBL4122027 0.83 GLRA3 (0.69) GLRA3GLRBMEN1KMT2ACA1
SCHEMBL2789123 0.83 GLRA3 (0.47) GLRA3GLRBDHODHCYP2C9
SCHEMBL2790702 0.83 GLRA3 (0.47) GLRA3GLRBPTGS1PTGS2CYP2C9

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 1915/4885DHODH 1706/4885

“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.