SCHEMBL2791199

SCHEMBL2791199

COc1cc(C(C)(C)C)c(O)c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2Br)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 3/20 0.41
EPAS1 Q99814 3/20 0.39
PKM P14618 1/20 0.36
HTR2A P28223 1/20 0.36
TSPO P30536 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGFR P43088 1/20 0.36
S1PR1 P21453 1/20 0.36
CA12 O43570 1/20 0.36
LMNA P02545 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
SCHEMBL2788434 0.90 RXFP1 (0.44) RXFP1CA1CA2CA9PKM
SCHEMBL2787140 0.89 RXFP1 (0.43) RXFP1CA1CA2CA9EPAS1
SCHEMBL2788796 0.87 CA2 (0.47) CA1CA2CA9EPAS1MEN1
SCHEMBL2787825 0.86 RXFP1 (0.41) RXFP1EPAS1HTR2ATSPOGPR183
SCHEMBL2789337 0.85 CA2 (0.42) RXFP1CA1CA2CA9EPAS1
SCHEMBL2788202 0.85 CA2 (0.42) RXFP1CA1CA2CA9EPAS1
SCHEMBL2789469 0.84 KMT2A (0.41) RXFP1PKMMEN1KMT2A
SCHEMBL2791225 0.83 KMT2A (0.43) RXFP1EPAS1MEN1KMT2ALMNA
SCHEMBL2791332 0.83 KMT2A (0.44) RXFP1CA1CA2CA9MEN1
SCHEMBL2788801 0.82 RXFP1 (0.44) RXFP1PKMHTR2ATSPOGPR183

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 RXFP1 661/4885CA1 4202/4885CA2 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.