SCHEMBL6034698

SCHEMBL6034698

N#Cc1cccc(CC(=O)O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.50
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CXCR2 P25025 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3974171 0.83 AKR1B1 (0.55) AKR1B1TDP1ALDH1A1FFAR1KDM4E
SCHEMBL1344741 0.81 AKR1B1 (0.44) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL14660849 0.81 XDH (0.48) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL7937087 0.80 AKR1B1 (0.67) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL29852731 0.80 ALDH1A1 (0.46) CXCR2ALDH1A1TSHRKDM4EMAPT
SCHEMBL11230027 0.79 GABRA1 (0.61) CXCR2ALDH1A1TSHRGAAL3MBTL1
SCHEMBL11372174 0.79 ALDH1A1 (0.38) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL23218359 0.78 NLRP3 (0.48) TDP1ALDH1A1TSHRKDM4EMAPT
SCHEMBL30676655 0.78 NLRP3 (0.48) TDP1ALDH1A1TSHRKDM4EMAPT
SCHEMBL14660830 0.77 P2RX7 (0.50) AKR1B1DUSP3PTPN5PTPN11CTDSP1

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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 AKR1B1 101/4885DUSP3 2554/4885PTPN5 611/4885

“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.