SCHEMBL6319791

SCHEMBL6319791

C[C@@H](C(=O)N(CCS(=O)(=O)O)C(=O)OCc1ccccc1)c1ccc(N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PKM P14618 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
DRD1 P21728 1/20 0.54
HTT P42858 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HTR1A P08908 1/20 0.47

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
SCHEMBL10112915 0.81 NPC1 (0.71) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL15344613 0.75 NPC1 (0.67) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL12608982 0.74 NPC1 (0.62) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL11472813 0.72 NPC1 (0.63) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL7095668 0.72 GLI1 (0.52) SMN1; SMN2LMNACYP3A4KDM4E
SCHEMBL7097456 0.72 ALOX5 (0.49) MEN1KMT2ACYP2D6
Dexindoprofen SCHEMBL286896 0.72 NPC1 (1.00) NPC1RAB9APKMTP53SMN1; SMN2
(R)-Indoprofen SCHEMBL5419435 0.72 NPC1 (1.00) NPC1RAB9APKMTP53SMN1; SMN2
Indoprofen SCHEMBL25137 0.72 NPC1 (1.00) NPC1RAB9APKMTP53SMN1; SMN2
(R)-Indoprofen SCHEMBL30910963 0.72 NPC1 (1.00) NPC1RAB9APKMTP53SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887903-B1 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. (IT) 2005-05-03 US disclosed
US-6881755-B2 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them Dompé S.p.A. (IT) 2005-04-19 US disclosed
US-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. 2003-11-20 US disclosed
EP-1123276-B1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE SPA (IT) 2003-01-08 EP 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-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them ELANE, MPO, FPR1 NPC1 1760/4885RAB9A 2055/4885PKM 4195/4885

“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.