SCHEMBL7097456

SCHEMBL7097456

C[C@@H](C(=O)N(CCS(=O)(=O)O)C(=O)OCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
PTGS1 P23219 1/20 0.48
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
FFAR1 O14842 1/20 0.39
PTGES O14684 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
PTGS2 P35354 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL7095668 0.86 GLI1 (0.52) ALOX5PTGS1GLI1GLI2PTGS2
SCHEMBL11532279 0.73 PTGS1 (0.72) ALOX5PTGS1MEN1CYP2D6KMT2A
SCHEMBL15486229 0.73 PTGS1 (0.63) ALOX5PTGS1MEN1CYP2D6KMT2A
SCHEMBL6319791 0.72 NPC1 (0.54) MEN1CYP2D6KMT2A
SCHEMBL12608944 0.71 GLI1 (0.64) ALOX5PTGS1MEN1CYP2D6KMT2A
SCHEMBL7154919 0.71 PTGS1 (0.49) ALOX5PTGS1MEN1CYP2D6KMT2A
SCHEMBL27568086 0.71 PTGS1 (0.49) ALOX5PTGS1MEN1CYP2D6KMT2A
SCHEMBL6328423 0.70 GLI1 (0.52) PTGS1MEN1CYP2D6KMT2AGLI1
SCHEMBL4067808 0.70 F13A1 (0.50) KMT2A
SCHEMBL4447821 0.69 CA1 (0.41) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5 1198/4885PTGS1 29/4885MEN1 4807/4885

“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.