SCHEMBL2849665

SCHEMBL2849665

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.55
MGLL Q99685 2/20 0.43
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 1/20 0.40
RORC P51449 1/20 0.39
AR P10275 1/20 0.39
RET P07949 2/20 0.38
KDR P35968 1/20 0.38
EGFR P00533 2/20 0.37
BRAF P15056 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 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
SCHEMBL2003105 0.90 MLNR (0.52) MLNRMGLLKCNH2KDM4ERORC
SCHEMBL2851448 0.89 MLNR (0.52) MLNRMGLLKCNH2KDM4ERORC
SCHEMBL2851975 0.87 MLNR (0.74) MLNRMGLLKCNH2ARRET
SCHEMBL2849498 0.85 MLNR (0.51) MLNRMGLLKCNH2KDM4ERORC
SCHEMBL2003107 0.81 MLNR (0.47) MLNRKDM4ERETKDREGFR
SCHEMBL1998237 0.80 MLNR (0.48) MLNRKCNH2KDM4ERORC
SCHEMBL2003109 0.78 MLNR (0.69) MLNRMGLLKCNH2RETKDR
SCHEMBL2849453 0.77 MLNR (0.73) MLNRMGLLKCNH2RORCPTGDR2
SCHEMBL1996928 0.76 GPR119 (0.49) MLNRKDM4ERORC
SCHEMBL2853512 0.73 NR1H2 (0.58) MGLLKDM4EPTGDR2

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 12/4885MGLL 1048/4885KCNH2 2812/4885

“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.