SCHEMBL2849480

SCHEMBL2849480

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.58
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
CYP2C9 P11712 1/20 0.50
DRD3 P35462 1/20 0.50
HTR6 P50406 1/20 0.50
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
GALR3 O60755 1/20 0.44
NAMPT P43490 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL2849659 0.92 MLNR (0.70) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1999376 0.89 MLNR (0.54) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1999378 0.88 MLNR (0.53) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL2849498 0.85 MLNR (0.51) MLNRMEN1KMT2AGAAKDM4E
SCHEMBL1996924 0.83 MLNR (0.83) MLNRMEN1KMT2AGAACYP2C9
SCHEMBL1995580 0.81 MLNR (0.64) MLNRLMNAMAPTPOLB
SCHEMBL2853455 0.80 MLNR (0.69) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL3659038 0.80 MLNR (0.53) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL2856258 0.80 MLNR (0.53) MLNRMEN1KMT2ANPC1RAB9A
SCHEMBL1995581 0.80 MLNR (0.62) MLNRMEN1KMT2AGAACYP2C9

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 12/4885MEN1 3829/4885KMT2A 3566/4885

“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.