SCHEMBL7159171

SCHEMBL7159171

C[C@@H](C(=O)NS(=O)(=O)CCC(=O)OCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.52
PTGS2 P35354 4/20 0.52
GLI1 P08151 1/20 0.50
GLI2 P10070 1/20 0.50
MAPT P10636 5/20 0.49
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA4 P22748 5/20 0.48
CA9 Q16790 5/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
CYP3A4 P08684 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 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
SCHEMBL27547914 1.00 PTGS1 (0.52) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL6332320 0.86 GLI1 (0.53) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL27568086 0.86 PTGS1 (0.49) PTGS1PTGS2GLI1GLI2CA1
SCHEMBL7154919 0.86 PTGS1 (0.49) PTGS1PTGS2GLI1GLI2CA1
SCHEMBL12765415 0.82 PTGS1 (0.55) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL1519474 0.82 PTGS1 (0.50) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL3979139 0.81 MAPT (0.53) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL7011092 0.81 CA12 (0.57) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL6315710 0.81 CA12 (0.57) PTGS1PTGS2GLI1GLI2MAPT
SCHEMBL6330554 0.81 CXCR1 (0.55) PTGS1PTGS2MAPTSMN1; SMN2LMNA

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-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. 2003-11-20 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-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them ELANE, MPO, FPR1 PTGS1 29/4885PTGS2 48/4885GLI1 3402/4885

“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.