SCHEMBL2853512

SCHEMBL2853512

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.58
MGLL Q99685 5/20 0.52
PTGDR2 Q9Y5Y4 6/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FAAH O00519 1/20 0.39
KIT P10721 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1995976 0.86 NR1H2 (0.53) NR1H2MGLLPTGDR2MEN1KMT2A
SCHEMBL2767134 0.85 PTGDR2 (0.45) MGLLPTGDR2ALDH1A1FAAH
SCHEMBL2766969 0.84 MGLL (0.51) MGLLPTGDR2FAAH
SCHEMBL2849484 0.83 MGLL (0.49) NR1H2MGLLPTGDR2KDM4EALDH1A1
SCHEMBL2849487 0.83 MGLL (0.49) NR1H2MGLLPTGDR2KDM4EALDH1A1
SCHEMBL2767197 0.83 PTGDR2 (0.50) MGLLPTGDR2KDM4EALDH1A1TDP1
SCHEMBL20912666 0.82 NR1H2 (0.68) NR1H2MGLLKDM4EALDH1A1ATM
SCHEMBL20912771 0.82 NR1H2 (0.68) NR1H2MGLLKDM4EALDH1A1ATM
SCHEMBL20912669 0.82 NR1H2 (0.68) NR1H2MGLLKDM4EALDH1A1ATM
SCHEMBL15093715 0.81 MGLL (0.61) MGLLPTGDR2FAAH

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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR NR1H2 54/4885MGLL 1048/4885PTGDR2 206/4885

“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.