SCHEMBL370276

SCHEMBL370276

COc1ccc(Cn2cc(-c3csc(NC(=O)OC(C)(C)C)n3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 4/20 0.49
ROCK1 Q13464 2/20 0.49
APP P05067 1/20 0.49
MAPK1 P28482 3/20 0.48
ROCK2 O75116 1/20 0.48
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
GSTO1 P78417 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL369597 0.88 APP (0.56) MAPTKMT2AMEN1ALDH1A1ROCK1
SCHEMBL2282154 0.83 HDAC3 (0.44) KMT2AALDH1A1ROCK1ROCK2HDAC3
SCHEMBL370566 0.83 HDAC3 (0.46) MAPTKMT2AALDH1A1RAB9ALMNA
SCHEMBL370553 0.82 HDAC3 (0.43) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL15182840 0.78 GSK3B (0.52) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2533440 0.77 RAB9A (0.51) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL370452 0.77 LTA4H (0.61) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL2532075 0.75 NPC1 (0.67) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL370432 0.74 RAB9A (0.45) MAPTKMT2AMEN1ALDH1A1ROCK1
SCHEMBL2507444 0.74 GAA (0.54) MAPTKMT2AMEN1ALDH1A1MAPK1

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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 MAPT 971/4885KMT2A 1336/4885MEN1 4364/4885

“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.