SCHEMBL4136193

SCHEMBL4136193

Cc1c(SCc2ccccn2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
DAO P14920 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
MCL1 Q07820 1/20 0.39
PPARG P37231 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4122008 0.83 GLRA3 (0.49) GAAKMT2AMEN1GLRA3GLRB
SCHEMBL4123091 0.81 GLRA3 (0.46) KMT2AMEN1GLRA3GLRBCYP1A2
SCHEMBL4121024 0.79 PPARG (0.42) GAAGLRA3GLRBALDH1A1DAO
SCHEMBL4121740 0.79 GLRA3 (0.43) GAAKMT2AMEN1GLRA3GLRB
SCHEMBL4129405 0.78 GLRA3 (0.48) GAAKMT2AMEN1GLRA3GLRB
SCHEMBL4128989 0.78 GAA (0.44) GAAKMT2AMEN1GLRA3GLRB
SCHEMBL4128600 0.77 GLRA3 (0.44) KMT2AMEN1GLRA3GLRBALDH1A1
SCHEMBL4122871 0.77 ALDH1A1 (0.44) KMT2AMEN1GLRA3GLRBALDH1A1
SCHEMBL4128845 0.76 GLRA3 (0.51) GAAGLRA3GLRBALDH1A1TSHR
SCHEMBL4128502 0.76 GLRA3 (0.46) KMT2AMEN1GLRA3GLRBALDH1A1

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
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 GAA 831/4885KMT2A 2465/4885MEN1 2512/4885

“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.