SCHEMBL2176763

SCHEMBL2176763

COC(=O)c1cc(O)cc(/C=C/c2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.62
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
PTPN1 P18031 1/20 0.54
PTGS2 P35354 4/20 0.52
KDM4E B2RXH2 2/20 0.49
NQO2 P16083 1/20 0.49
ALOX5 P09917 1/20 0.49
P4HB P07237 1/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A1 P04798 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CTSL P07711 2/20 0.46

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
SCHEMBL2176767 1.00 PTGS1 (0.62) PTGS1CA12CA1CA2CA7
SCHEMBL28025111 0.84 PTPN1 (0.63) PTGS1CA12CA1CA2CA7
SCHEMBL12973297 0.84 PTPN1 (0.63) PTGS1CA12CA1CA2CA7
SCHEMBL12295084 0.84 PTPN1 (0.63) PTGS1CA12CA1CA2CA7
SCHEMBL15437059 0.84 PTPN1 (0.63) PTGS1CA12CA1CA2CA7
SCHEMBL4255769 0.82 PTPN1 (0.71) PTGS1CA12CA1CA2CA7
SCHEMBL4255766 0.82 PTPN1 (0.71) PTGS1CA12CA1CA2CA7
SCHEMBL22887308 0.82 TTR (0.57) PTPN1P4HBLMNAMEN1NPC1
SCHEMBL1486728 0.78 PTGS1 (1.00) PTGS1CA12CA1CA2CA7
SCHEMBL16749652 0.78 CA12 (0.56) CA12CA1CA2CA7CA9

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 2 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 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 PTGS1 1585/4885CA12 4745/4885CA1 4364/4885

“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.