SCHEMBL1063932

SCHEMBL1063932

CCOC(=O)C=C(CBr)Oc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL1066687 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NLRP3ALDH1A1KDM4ERAB9A
SCHEMBL1066688 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NLRP3ALDH1A1KDM4ERAB9A
SCHEMBL1068755 0.91 MAPT (0.40) SMN1; SMN2NLRP3ALDH1A1KDM4EKMT2A
SCHEMBL1068750 0.91 MAPT (0.40) SMN1; SMN2NLRP3ALDH1A1KDM4EKMT2A
SCHEMBL1068752 0.91 MAPT (0.40) SMN1; SMN2NLRP3ALDH1A1KDM4EKMT2A
SCHEMBL1066755 0.86 KMT2A (0.46) SMN1; SMN2ALDH1A1KDM4EKMT2ACA12
SCHEMBL1066758 0.86 KMT2A (0.46) SMN1; SMN2ALDH1A1KDM4EKMT2ACA12
SCHEMBL1068771 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3ALDH1A1KDM4ERAB9A
SCHEMBL1068772 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3ALDH1A1KDM4ERAB9A
SCHEMBL1068773 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3ALDH1A1KDM4ERAB9A

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 SMN1; SMN2 2392/4885NLRP3 4163/4885ALDH1A1 1129/4885

“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.