SCHEMBL2654329

SCHEMBL2654329

CSc1ccc(C(=CC2CCCC2)C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR3 P49019 3/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP3A4 P08684 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 2/20 0.32
ACACB O00763 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL2654325 1.00 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2656286 0.89 GCK (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2656243 0.86 NPC1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2656246 0.86 NPC1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2654455 0.86 HCAR3 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2654458 0.86 HCAR3 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2652611 0.86 DDB1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2652614 0.86 DDB1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2654348 0.83 CXCR2 (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2654402 0.79 AKR1C3 (0.50) ALDH1A1HPGDAKR1C3AKR1C2AKR1C1

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.