SCHEMBL2178007

SCHEMBL2178007

CCCC(=O)Nc1cccc(CCc2cc(OCCCOC)cc(C(=O)Nc3nccs3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.54
CYP2C19 P33261 1/20 0.54
CYP2C9 P11712 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GCK P35557 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL2176499 0.91 ADORA2A (0.62) ADORA2ACYP2C19CYP2C9NPC1RAB9A
SCHEMBL2176330 0.90 KCNK3 (0.48) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL2178241 0.90 RAB9A (0.49) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL2179567 0.89 ADORA2A (0.55) ADORA2ACYP2C9NPC1RAB9AHPGD
SCHEMBL2178641 0.89 KCNK3 (0.58) ADORA2ACYP2C19NPC1RAB9AHPGD
SCHEMBL2178010 0.89 GCK (0.56) ADORA2ACYP2C19CYP2C9NPC1RAB9A
SCHEMBL2179516 0.88 KCNK3 (0.50) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL2177930 0.88 MEN1 (0.48) ADORA2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2177651 0.87 NPC1 (0.47) ADORA2ACYP2C9NPC1RAB9AHPGD
SCHEMBL2180616 0.87 KDM4E (0.51) ADORA2ANPC1RAB9AHPGDSMN1; SMN2

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.