SCHEMBL2790747

SCHEMBL2790747

Cc1c(-c2ccc(C#N)cc2)ccc(O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.41
SLC22A12 Q96S37 7/20 0.39
MAP4K4 O95819 1/20 0.39
XDH P47989 4/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CYP11B2 P19099 1/20 0.38
GRM2 Q14416 1/20 0.37
PTGER4 P35408 1/20 0.37
AR P10275 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL7282954 0.80 AR (0.49) MMP3CYP11B2GRM2AR
SCHEMBL4421994 0.76 MMP3 (0.44) MMP3CYP11B2GRM2AR
SCHEMBL2789041 0.75 GLRA3 (0.49) MMP3SLC22A12MAP4K4GRM2PTGER4
SCHEMBL2744074 0.74 LTB4R2 (0.46) SLC22A12MAP4K4XDH
SCHEMBL5370251 0.73 HTT (0.49) MMP3SLC22A12MAP4K4MMP2CYP11B2
SCHEMBL28674680 0.72 ALDH1A1 (0.48) XDH
SCHEMBL2788974 0.72 CA1 (0.41)
SCHEMBL27245981 0.72 MMP3 (0.48) MMP3
SCHEMBL6644495 0.71 SLC22A12 (0.56) SLC22A12MAP4K4XDHAR
SCHEMBL29290463 0.71 MMP2 (0.48) MMP3MMP2MMP9PTGER4MMP13

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 MMP3 2466/4885SLC22A12 440/4885MAP4K4 2571/4885

“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.