SCHEMBL556212

SCHEMBL556212

Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1C1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NR1H2 P55055 1/20 0.37
GPR119 Q8TDV5 5/20 0.37
LIPE Q05469 1/20 0.36
MMP13 P45452 1/20 0.36
STS P08842 2/20 0.36
EPHX2 P34913 1/20 0.35
ESR2 Q92731 1/20 0.35
KAT7 O95251 1/20 0.35
KAT8 Q9H7Z6 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
SCHEMBL533786 0.89 DRD2 (0.37)
SCHEMBL5156097 0.83 NR1H2 (0.41) NR1H2GPR119ESR2
SCHEMBL11898578 0.82 GPR119 (0.38) CA12CA1CA9NR1H2GPR119
SCHEMBL557260 0.81 ESR2 (0.51) NR1H2GPR119ESR2
SCHEMBL17462555 0.80 ESR2 (0.42) MMP1MMP9MMP3MMP7CA12
SCHEMBL30783165 0.79 GPR119 (0.43) NR1H2GPR119ESR2
SCHEMBL5161957 0.79 GPR119 (0.43) NR1H2GPR119ESR2
SCHEMBL31385916 0.78 HSP90AA1 (0.39) NR1H2GPR119EPHX2ESR2
SCHEMBL17462495 0.77 ESR2 (0.44) MMP1MMP9MMP3MMP7CA12
SCHEMBL1650187 0.76 NR1H2 (0.63) NR1H2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 MMP1 540/4885MMP9 307/4885MMP3 66/4885

“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.