SCHEMBL6953158

SCHEMBL6953158

CC(=O)N(c1ccccc1)C(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
LMNA P02545 4/20 0.44
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
CYP2C9 P11712 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
UTS2R Q9UKP6 3/20 0.43
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL4567237 0.77 GABBR2 (0.53) HSD17B10LMNAGABBR2GABBR1CYP2C9
SCHEMBL6002264 0.71 GABBR2 (0.58) HSD17B10LMNAGABBR2GABBR1CYP2C9
SCHEMBL15614165 0.71 GABBR2 (0.58) HSD17B10LMNAGABBR2GABBR1CYP2C9
SCHEMBL2784537 0.71 GABBR2 (0.48) LMNAGABBR2GABBR1CYP2D6CYP2C19
SCHEMBL28443405 0.71 GABBR2 (0.46) HSD17B10LMNAGABBR2GABBR1CYP2C9
SCHEMBL10135884 0.71 POLB (0.43) CYP2C9MEN1KMT2ACYP2C19UTS2R
SCHEMBL1144526 0.70 GABBR2 (0.44) LMNAGABBR2GABBR1CYP2D6CYP2C19
SCHEMBL9575068 0.70 GABBR2 (0.44) LMNAGABBR2GABBR1CYP2C19
SCHEMBL3520190 0.69 GABBR2 (0.63) HSD17B10LMNAGABBR2GABBR1CYP2C9
SCHEMBL1144391 0.68 GABBR2 (0.42) LMNAGABBR2GABBR1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 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 (2 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D HSD17B10 1364/4885LMNA 3733/4885GABBR2 1502/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D HSD17B10 1364/4885LMNA 3733/4885GABBR2 1502/4885

“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.