SCHEMBL2849484

SCHEMBL2849484

C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 1/20 0.38
NR1H2 P55055 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TMPRSS2 O15393 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
SCHEMBL2849487 1.00 MGLL (0.49) MGLLALDH1A1LMNAMAPTKCNJ1
SCHEMBL2004443 0.88 ALDH1A1 (0.46) MGLLALDH1A1LMNAMAPTKCNJ1
SCHEMBL2767934 0.86 ALDH1A1 (0.52) MGLLALDH1A1LMNAMAPTKCNJ1
SCHEMBL2767937 0.86 ALDH1A1 (0.52) MGLLALDH1A1LMNAMAPTKCNJ1
SCHEMBL2004445 0.86 KCNJ1 (0.40) MGLLALDH1A1LMNAKCNJ1KDM4E
SCHEMBL20912680 0.85 NR1H2 (0.44) MGLLALDH1A1LMNAKCNJ1KDM4E
SCHEMBL20912684 0.85 NR1H2 (0.44) MGLLALDH1A1LMNAKCNJ1KDM4E
SCHEMBL2767692 0.84 LMNA (0.47) ALDH1A1LMNAMAPTPTGDR2KDM4E
SCHEMBL2767694 0.84 LMNA (0.47) ALDH1A1LMNAMAPTPTGDR2KDM4E
SCHEMBL2853512 0.83 NR1H2 (0.58) MGLLALDH1A1MAPTPTGDR2KDM4E

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 MGLL 1048/4885ALDH1A1 3421/4885LMNA 3279/4885

“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.