SCHEMBL2654849

SCHEMBL2654849

CSc1ccc(C(=O)C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CPT1B Q92523 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
P4HA1 P13674 2/20 0.38
P4HTM Q9NXG6 2/20 0.38
MIF P14174 1/20 0.37
HCAR3 P49019 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL46646 0.85 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL9671972 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL1091823 0.81 HPGD (0.50) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL30003144 0.81 HPGD (0.50) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL18930988 0.79 NNMT (0.55) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
Formic Acid SCHEMBL1713397 0.79 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL2666994 0.77 MAPT (0.41) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL15372282 0.76 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL247044 0.76 MAPK1 (0.61) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL28277137 0.76 HPGD (0.46) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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-7262196-B2 Tri(cyclo) substituted amide glucokinase activator compounds PROSIDION LIMITED (GB) 2007-08-28 US disclosed
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 EP disclosed
US-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds OSI PHARMACEUTICALS, INC. 2004-09-23 US disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 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-20040186290-A1 Tri(cyclo) substituted amide glucokinase activator compounds GCKR, GCK, GALK1 ALDH1A1 2267/4885CYP1A2 1184/4885CYP2C9 1023/4885

“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.