SCHEMBL1066326

SCHEMBL1066326

CCOC(=O)C=C(CBr)Oc1c(F)ccc(OC(C)C)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
KMT2A Q03164 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
SCHEMBL1066323 1.00 P2RX3 (0.35) P2RX3ALDH1A1TSHRFFAR4MAPT
SCHEMBL1066325 1.00 P2RX3 (0.35) P2RX3ALDH1A1TSHRFFAR4MAPT
SCHEMBL1065725 0.87 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1068339 0.87 FDPS (0.36) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1065728 0.87 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1068344 0.87 FDPS (0.36) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1068342 0.87 FDPS (0.36) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1065722 0.87 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1062428 0.85 ALDH1A1 (0.38) P2RX3ALDH1A1TSHRFFAR4MAPT
SCHEMBL1062431 0.85 ALDH1A1 (0.38) P2RX3ALDH1A1TSHRFFAR4MAPT

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 P2RX3 3872/4885ALDH1A1 1129/4885TSHR 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.