SCHEMBL1065722

SCHEMBL1065722

CCOC(=O)/C=C(\CBr)Oc1c(F)ccc(OCC)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
FGFR2 P21802 1/20 0.32
FDPS P14324 1/20 0.32
MEP1B Q16820 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL1065728 1.00 ALDH1A1 (0.33) ALDH1A1LMNAGAASMN1; SMN2CA12
SCHEMBL1065725 1.00 ALDH1A1 (0.33) ALDH1A1LMNAGAASMN1; SMN2CA12
SCHEMBL1068344 0.91 FDPS (0.36) ALDH1A1LMNACA12CA1CA2
SCHEMBL1068342 0.91 FDPS (0.36) ALDH1A1LMNACA12CA1CA2
SCHEMBL1068339 0.91 FDPS (0.36) ALDH1A1LMNACA12CA1CA2
SCHEMBL1066325 0.87 P2RX3 (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL1066326 0.87 P2RX3 (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL1066323 0.87 P2RX3 (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL1067978 0.84 CYP4F2 (0.35) ALDH1A1LMNASMN1; SMN2CA12CA1
SCHEMBL1068450 0.84 CYP4F2 (0.35) ALDH1A1LMNASMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885LMNA 3936/4885GAA 84/4885

“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.