Sugi Predict

Sugi Predict / Compounds / SCHEMBL370192

SCHEMBL370192

SCHEMBL370192

COc1ccc(Cn2cc(-c3nc(NC(=O)OC(C)(C)C)sc3C=O)c(C(C)O)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ LCK P06239 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL370868 0.92 MKNK2 (0.35) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL371073 0.92 MAPT (0.34) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL6837254 0.90 LMNA (0.36) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL370267 0.89 GSK3A (0.39) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL6837241 0.88 LMNA (0.35) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL369361 0.87 HDAC3 (0.36) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL370992 0.85 LMNA (0.36) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL6837114 0.84 MKNK2 (0.42) MAPTLMNANPSR1HDAC3HDAC8
SCHEMBL6837466 0.82 LCK (0.36) MAPTLMNASMN1; SMN2XBP1NPSR1
SCHEMBL15182518 0.82 AADAT (0.35) MAPTSMN1; SMN2CACNA1HMEN1KMT2A

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
US-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 — — US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 — — EP disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 — — WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 MAPT 1266/4885LMNA 4688/4885SMN1; SMN2 2061/4885

“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.