SCHEMBL2851975

SCHEMBL2851975

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.74
KCNH2 Q12809 2/20 0.47
MGLL Q99685 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
RET P07949 4/20 0.39
KDR P35968 3/20 0.39
NR3C1 P04150 2/20 0.38
AR P10275 1/20 0.38
MKNK2 Q9HBH9 5/20 0.38
MKNK1 Q9BUB5 4/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
PDGFRB P09619 2/20 0.38
KIT P10721 2/20 0.38
PDGFRA P16234 2/20 0.38
FGFR2 P21802 2/20 0.38
FLT3 P36888 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FGFR4 P22455 1/20 0.37
CYP3A4 P08684 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
SCHEMBL2003109 0.91 MLNR (0.69) MLNRKCNH2MGLLPTGDR2RET
SCHEMBL2849453 0.90 MLNR (0.73) MLNRKCNH2MGLLPTGDR2
SCHEMBL2849665 0.87 MLNR (0.55) MLNRKCNH2MGLLPTGDR2RET
SCHEMBL2853455 0.86 MLNR (0.69) MLNRKCNH2MGLLPTGDR2
SCHEMBL2879355 0.85 MLNR (1.00) MLNRNR3C1MKNK2MKNK1ABL1
SCHEMBL2000727 0.85 MLNR (1.00) MLNRNR3C1MKNK2MKNK1ABL1
SCHEMBL2003110 0.83 MLNR (0.63) MLNRRETKDRNR3C1MKNK2
SCHEMBL1999247 0.82 MLNR (0.67) MLNRKCNH2MGLL
SCHEMBL2003105 0.78 MLNR (0.52) MLNRKCNH2MGLLAR
SCHEMBL1995197 0.78 MLNR (0.63) MLNRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US disclosed
EP-2212299-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR MLNR 12/4885KCNH2 2812/4885MGLL 1048/4885

“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.