Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989751

SCHEMBL4989751

SCHEMBL4989751

CC(O)(c1ccc(Br)cc1)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ ALOX15 P16050 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31

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
SCHEMBL22928607 0.80 MEN1 (0.37) CA1CA2CA5ACA9CYP2A6
SCHEMBL11214283 0.77 ALDH1A1 (0.43) ALOX15ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL20919560 0.75 MTOR (0.36) ALOX15ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29091898 0.75 CA1 (0.43) CA1CA2CA5ACA9CYP2A6
SCHEMBL28771440 0.75 CA1 (0.43) CA1CA2CA5ACA9CYP2A6
SCHEMBL29091902 0.75 CA1 (0.43) CA1CA2CA5ACA9CYP2A6
SCHEMBL8582556 0.74 MEN1 (0.56) CA1CA2CA5ACA9CYP2A6
SCHEMBL18911463 0.74 CYP2A6 (0.44) CA1CA2CA5ACA9CYP2A6
SCHEMBL155856 0.74 CYP2A6 (0.44) CA1CA2CA5ACA9CYP2A6
SCHEMBL22928449 0.74 MAOA (0.35) CA1CA2CA5ACA9CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 — — US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 — — US disclosed
EP-1817276-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2012-08-08 — — EP disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 — — US disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 — — US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 — — 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 (3 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 CA1 4137/4885CA2 632/4885CA5A 1209/4885
US-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CA1 1159/4885CA2 867/4885CA5A 2902/4885
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSE CA1 1146/4885CA2 1124/4885CA5A 2558/4885

“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.