SCHEMBL7166134

SCHEMBL7166134

Cc1ccccc1Nc1ccccc1CC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.77
CXCL8 P10145 5/20 0.66
CLIC1 O00299 1/20 0.61
CLCN2 P51788 1/20 0.61
TTR P02766 2/20 0.58
NR1H4 Q96RI1 2/20 0.58
AKR1B10 O60218 1/20 0.58
UGT1A9 O60656 1/20 0.58
TRPA1 O75762 1/20 0.58
ABCB11 O95342 1/20 0.58
MT-CO2 P00403 1/20 0.58
ALB P02768 1/20 0.58
UGT1A6 P19224 1/20 0.58
UGT1A1 P22309 1/20 0.58
PTGS1 P23219 1/20 0.58
CXCR1 P25024 1/20 0.58
ADRA1A P35348 1/20 0.58
AGTR2 P50052 1/20 0.58
NR1I3 Q14994 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58

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
SCHEMBL7162418 0.89 PTGS2 (0.75) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL6239733 0.87 PTGS2 (1.00) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL7165462 0.86 PTGS2 (0.62) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL1032123 0.86 PTGS2 (0.71) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL7165025 0.86 PTGS2 (0.62) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL7165326 0.86 PTGS2 (0.71) PTGS2CXCL8CLIC1CLCN2TTR
SCHEMBL7165002 0.86 CXCL8 (0.70) PTGS2CXCL8CLIC1CLCN2TTR
Malonic Acid SCHEMBL31082387 0.83 ITGB3 (0.56) PTGS2AKR1B10TRPA1ABCB11PTGS1
SCHEMBL5991743 0.83 PTGS2 (0.63) PTGS2CXCL8CLIC1CLCN2NR1H4
Bicarbonate SCHEMBL31082205 0.81 RAB9A (0.61) PTGS2AKR1B10TRPA1ABCB11PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR PTGS2 2067/4885CXCL8 3032/4885CLIC1 3616/4885

“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.