SCHEMBL1064239

SCHEMBL1064239

CC(C)(O)c1cccc(O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 3/20 0.43
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TRPA1 O75762 2/20 0.38
ATM Q13315 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALOX15 P16050 4/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
EGFR P00533 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35

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
SCHEMBL12024755 0.84 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCA2ADRB1
SCHEMBL1125329 0.77 HSD17B1 (0.41) ALDH1A1TDP1TSHRCA2ADRB1
SCHEMBL28489405 0.77 CA2 (0.52) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL23412139 0.77 CA2 (0.37) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL30148352 0.77 PDK1 (0.39) TDP1CA2HSD11B1KDM4EMAPT
SCHEMBL548642 0.77 ALDH1A1 (0.68) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL30368089 0.77 ALDH1A1 (0.68) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL6558963 0.76 SHBG (0.41) ALDH1A1TDP1TSHRCA2ADRB1
SCHEMBL1624964 0.76 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2ADRB1
SCHEMBL28266655 0.76 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2TRPA1

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
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
CN-102007118-A Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN 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 1129/4885TDP1 1793/4885TSHR 3084/4885

“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.