SCHEMBL13329758

SCHEMBL13329758

CNC(=O)Nc1ccccc1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
RECQL P46063 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NR1H4 Q96RI1 2/20 0.56
PTGS2 P35354 4/20 0.54
CXCL8 P10145 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
AKR1B10 O60218 1/20 0.50
UGT1A9 O60656 1/20 0.50
TRPA1 O75762 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
TTR P02766 1/20 0.50
ALB P02768 1/20 0.50
UGT1A6 P19224 1/20 0.50
UGT1A1 P22309 1/20 0.50
PTGS1 P23219 1/20 0.50
CXCR1 P25024 1/20 0.50
ADRA1A P35348 1/20 0.50
AGTR2 P50052 1/20 0.50

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
SCHEMBL5991743 0.83 PTGS2 (0.63) ALDH1A1NR1H4PTGS2CXCL8L3MBTL1
SCHEMBL21504754 0.83 L3MBTL1 (0.73) ALDH1A1RECQLSMN1; SMN2L3MBTL1POLB
SCHEMBL5153133 0.83 TP53 (0.59) SMN1; SMN2NR1H4PTGS2CXCL8AKR1B10
SCHEMBL31226210 0.82 NR1H4 (0.59) ALDH1A1NR1H4PTGS2CXCL8AKR1B10
SCHEMBL3054871 0.82 NR1H4 (0.59) ALDH1A1NR1H4PTGS2CXCL8AKR1B10
SCHEMBL1964864 0.82 PTGS2 (0.60) NR1H4PTGS2CXCL8AKR1B10UGT1A9
SCHEMBL7466732 0.81 ALDH1A1 (0.66) ALDH1A1RECQLSMN1; SMN2L3MBTL1POLB
SCHEMBL9724473 0.80 CXCL8 (0.57) ALDH1A1NR1H4PTGS2CXCL8AKR1B10
SCHEMBL5151876 0.80 RAB9A (0.60) ALDH1A1SMN1; SMN2NR1H4PTGS2POLB
SCHEMBL194382 0.79 NR1H4 (0.56) NR1H4PTGS2CXCL8AKR1B10UGT1A9

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-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF ALDH1A1 867/4885RECQL 4865/4885SMN1; SMN2 4524/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF ALDH1A1 867/4885RECQL 4865/4885SMN1; SMN2 4524/4885

“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.