SCHEMBL2177930

SCHEMBL2177930

COCCCOc1cc(CCc2cccc(NC(=O)Cc3cccs3)c2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
RECQL P46063 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
SCHEMBL2178887 0.92 ADORA2A (0.46) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL2176330 0.91 KCNK3 (0.48) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL2177931 0.89 GCK (0.54) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL2178007 0.88 ADORA2A (0.54) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2178241 0.88 RAB9A (0.49) HPGDALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2179567 0.87 ADORA2A (0.55) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2178641 0.87 KCNK3 (0.58) MEN1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL2179516 0.86 KCNK3 (0.50) MEN1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL2180616 0.85 KDM4E (0.51) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL2178466 0.85 KCNK3 (0.48) MEN1KMT2AHPGDALDH1A1POLB

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 MEN1 4297/4885KMT2A 2309/4885HPGD 1289/4885

“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.