SCHEMBL2176271

SCHEMBL2176271

COCCCOc1cc(CCc2cccc(OC)c2OC)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
BRD4 O60885 1/20 0.53
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.45
ADRB2 P07550 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
GCK P35557 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.43
ADORA2A P29274 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
SCHEMBL2176615 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2176273 0.89 GCK (0.58) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2180022 0.85 RAB9A (0.48) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2178979 0.85 GCK (0.51) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2178409 0.84 GCK (0.49) SMN1; SMN2MAPTBRD4RAB9ANPC1
Hydrochloric Acid SCHEMBL2178390 0.84 RAB9A (0.47) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2177037 0.84 RAB9A (0.46) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2177700 0.83 GCK (0.51) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2178805 0.82 GCK (0.51) SMN1; SMN2MAPTBRD4RAB9ANPC1
SCHEMBL2176766 0.82 RAB9A (0.51) SMN1; SMN2MAPTBRD4RAB9ANPC1

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 SMN1; SMN2 4303/4885MAPT 3236/4885BRD4 2256/4885

“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.