SCHEMBL2654348

SCHEMBL2654348

CSc1ccc(/C(=C\C2CCCCO2)C(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HCAR3 P49019 2/20 0.34
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2654329 0.83 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2654325 0.83 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2656286 0.80 GCK (0.40) CXCR2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2654455 0.71 HCAR3 (0.34) CXCR2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2654458 0.71 HCAR3 (0.34) CXCR2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2656246 0.71 NPC1 (0.38) CXCR2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2656243 0.71 NPC1 (0.38) CXCR2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2652611 0.70 DDB1 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2652614 0.70 DDB1 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2654849 0.67 ALDH1A1 (0.52) CXCR2ALDH1A1HPGDCYP1A2CYP2C9

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 CXCR2 3539/4885ALDH1A1 2267/4885HPGD 686/4885

“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.