SCHEMBL7737835

SCHEMBL7737835

COC(=O)c1c(Br)cc(O)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
ACHE P22303 1/20 0.55
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA7 P43166 6/20 0.54
CA9 Q16790 6/20 0.54
CA14 Q9ULX7 6/20 0.54
HPGD P15428 1/20 0.47
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
XDH P47989 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 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
SCHEMBL5561626 0.83 CA1 (0.54) CYP3A4ACHECA12CA1CA2
SCHEMBL20275098 0.81 CA12 (0.42) CYP3A4ACHECA12CA1CA2
SCHEMBL24682466 0.81 CA12 (0.42) CYP3A4ACHECA12CA1CA2
SCHEMBL4116286 0.78 CA1 (0.48) CYP3A4ACHECA12CA1CA2
SCHEMBL21695140 0.78 NOTUM (0.41) CYP3A4ACHECA12CA1CA2
SCHEMBL725269 0.77 CYP3A4 (0.77) CYP3A4ACHECA12CA1CA2
SCHEMBL8511532 0.77 CA12 (0.42) CYP3A4ACHECA12CA1CA2
SCHEMBL20503773 0.76 CA12 (0.50) CYP3A4ACHECA12CA1CA2
SCHEMBL197898 0.76 CYP3A4 (0.81) CYP3A4ACHECA12CA1CA2
SCHEMBL851838 0.76 CA1 (0.61) 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-6414001-B2 Ether and amide compounds preparation thereof composition containing same and use thereof as antidiadetics KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2002-07-02 US disclosed
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2001-07-19 US 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-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. SLC5A2, GCG, NCEH1 CYP3A4 1664/4885ACHE 2802/4885CA12 1727/4885

“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.