SCHEMBL4730302

SCHEMBL4730302

CCCCNc1ccccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.51
POLB P06746 1/20 0.51
CXCL8 P10145 5/20 0.50
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
TTR P02766 2/20 0.48
AKR1B10 O60218 1/20 0.48
UGT1A9 O60656 1/20 0.48
TRPA1 O75762 1/20 0.48
ABCB11 O95342 1/20 0.48
MT-CO2 P00403 1/20 0.48
ALB P02768 1/20 0.48
UGT1A6 P19224 1/20 0.48
UGT1A1 P22309 1/20 0.48
PTGS1 P23219 1/20 0.48
CXCR1 P25024 1/20 0.48
ADRA1A P35348 1/20 0.48
AGTR2 P50052 1/20 0.48
NR1I3 Q14994 1/20 0.48

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
SCHEMBL168558 0.95 CYSLTR2 (0.51) PTGS2POLBCXCL8CYSLTR2CYSLTR1
SCHEMBL9780647 0.94 CYSLTR2 (0.50) PTGS2POLBCXCL8CYSLTR2CYSLTR1
SCHEMBL11069348 0.89 CYP2C9 (0.46) PTGS2POLBCXCL8CYSLTR2CYSLTR1
SCHEMBL11065929 0.86 SOAT2 (0.49) POLBCYSLTR2CYSLTR1PTGS1CYP2C9
SCHEMBL11069324 0.86 SOAT2 (0.49) POLBCYSLTR2CYSLTR1PTGS1CYP2C9
SCHEMBL11072836 0.86 SOAT2 (0.49) CYSLTR2CYSLTR1
SCHEMBL11065936 0.86 SOAT2 (0.49) POLBCYSLTR2CYSLTR1PTGS1CYP2C9
SCHEMBL11069327 0.86 SOAT2 (0.49) POLBCYSLTR2CYSLTR1PTGS1CYP2C9
SCHEMBL11072831 0.86 SOAT2 (0.49) CYSLTR2CYSLTR1
SCHEMBL11819008 0.83 PTGS2 (0.57) PTGS2POLBCXCL8NR1H4TTR

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-20080139611-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS MILESTONE PHARMACEUTICALS, INC. (CA) 2008-06-12 US disclosed
WO-2008048577-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS MILESTONE PHARMACEUTICALS INC. (CA) 2008-04-24 WO disclosed
EP-0970087-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998045300-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1998-10-15 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-20080139611-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS PTGES2, NFKBIA, PTGES PTGS2 8/4885POLB 2390/4885CXCL8 44/4885

“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.