SCHEMBL5192082

SCHEMBL5192082

COc1ccc(-c2ccc(C(=O)O)c(N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
GAA P10253 1/20 0.51
HDAC2 Q92769 1/20 0.51
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
MAP4K4 O95819 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
IKBKB O14920 1/20 0.48
RXRA P19793 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL147211 0.86 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL29908977 0.86 PPM1B (0.79) PPM1BKDM4EALDH1A1RXFP1GAA
SCHEMBL23499274 0.86 PPM1B (0.79) PPM1BKDM4EALDH1A1RXFP1GAA
SCHEMBL710309 0.84 PPM1B (0.75) PPM1BKDM4EALDH1A1RXFP1GAA
SCHEMBL29436316 0.84 PPM1B (0.75) PPM1BKDM4EALDH1A1RXFP1GAA
Nitrogen SCHEMBL28644591 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL4137860 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1RXFP1GAA
SCHEMBL31509776 0.81 SMN1; SMN2 (0.51) PPM1BSMN1; SMN2KDM4EPRKAG1PRKAA1
SCHEMBL21857738 0.81 PPM1B (0.67) PPM1BSMN1; SMN2KDM4EALDH1A1RXFP1
SCHEMBL2575452 0.80 PPM1B (0.71) PPM1BKDM4EALDH1A1RXFP1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 PPM1B 185/4885SMN1; SMN2 2240/4885KDM4E 1970/4885

“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.