SCHEMBL2856291

SCHEMBL2856291

C[C@@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@H](C)N1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.75
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SCN9A Q15858 2/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 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
SCHEMBL2853455 0.89 MLNR (0.69) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1997141 0.88 MLNR (0.68) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1999746 0.85 MLNR (1.00) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL2849534 0.84 MLNR (0.52) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1997143 0.84 MLNR (0.64) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1995197 0.81 MLNR (0.63) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1997887 0.81 MLNR (0.82) MLNR
SCHEMBL2766189 0.78 MLNR (0.77) MLNR
SCHEMBL1995199 0.78 MLNR (0.58) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL2849453 0.77 MLNR (0.73) MLNRKMT2APTGDR2

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 MLNR 12/4885KMT2A 3566/4885MEN1 3829/4885

“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.