SCHEMBL2700626

SCHEMBL2700626

CCOc1cccc(OC2=CC(=O)N(C(CC(C)C)C(=O)OC)C2)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1067744 1.00 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1PTGS1
SCHEMBL2700348 0.91 GNRHR (0.35) ALDH1A1LMNA
SCHEMBL1066291 0.91 GNRHR (0.35) ALDH1A1LMNA
SCHEMBL1064048 0.90 PTGS2 (0.41) ALDH1A1LMNAKMT2AMEN1PTGS1
SCHEMBL1064053 0.90 PTGS2 (0.41) ALDH1A1LMNAKMT2AMEN1PTGS1
SCHEMBL2702153 0.90 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL1066059 0.90 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL2703301 0.89 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL1069541 0.89 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL1066802 0.88 ALDH1A1 (0.34) ALDH1A1LMNANPC1

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 3 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
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

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 3936/4885KMT2A 2072/4885

“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.