SCHEMBL1066491

SCHEMBL1066491

COC(=O)C(CC(C)C(F)(F)F)N1CC(Oc2ccccc2Cl)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SSTR4 P31391 1/20 0.33
XIAP P98170 1/20 0.33
CXCL8 P10145 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1066903 0.92 NPC1 (0.35) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1068185 0.90 CXCL8 (0.36) NPSR1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL1064483 0.89 NPSR1 (0.38) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL2700658 0.89 NPSR1 (0.38) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1067572 0.88 NPC1 (0.36) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1066557 0.87 NPC1 (0.35) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1066354 0.86 NPC1 (0.35) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1066913 0.86 NPC1 (0.35) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1068593 0.86 NPC1 (0.37) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL1064974 0.82 NPSR1 (0.37) NPC1RAB9ANPSR1KMT2AALDH1A1

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 NPC1 3656/4885RAB9A 2842/4885NPSR1 3628/4885

“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.