SCHEMBL2176499

SCHEMBL2176499

CCCC(=O)Nc1ccc(CCc2cc(OCCCOC)cc(C(=O)Nc3nccs3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.62
CYP2C19 P33261 1/20 0.62
CYP2C9 P11712 1/20 0.57
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GCK P35557 3/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
ALDH1A1 P00352 2/20 0.44
AGER Q15109 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2178007 0.91 ADORA2A (0.54) ADORA2ACYP2C19CYP2C9LMNANPC1
SCHEMBL2176230 0.89 AGER (0.57) ADORA2ACYP2C19CYP2C9NPC1RAB9A
SCHEMBL2177984 0.89 ADORA2A (0.62) ADORA2ACYP2C19CYP2C9NPC1RAB9A
SCHEMBL2178536 0.89 RAB9A (0.51) ADORA2ACYP2C9LMNANPC1RAB9A
SCHEMBL2176502 0.88 GCK (0.58) ADORA2ACYP2C19CYP2C9GCK
SCHEMBL2178415 0.88 SCN3A (0.49) ADORA2ACYP2C19CYP2C9LMNANPC1
SCHEMBL2177412 0.88 KCNK3 (0.53) ADORA2ACYP2C19CYP2C9NPC1RAB9A
SCHEMBL2179714 0.87 AURKA (0.50) ADORA2ACYP2C19CYP2C9LMNANPC1
SCHEMBL2178887 0.87 ADORA2A (0.46) ADORA2ACYP2C19CYP2C9LMNANPC1
SCHEMBL2176551 0.86 ADORA2A (0.46) ADORA2ACYP2C19CYP2C9LMNANPC1

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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 ADORA2A 1685/4885CYP2C19 2244/4885CYP2C9 2499/4885

“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.