Sugi Predict

Sugi Predict / Compounds / SCHEMBL15033945

SCHEMBL15033945

SCHEMBL15033945

CCOC(=O)CC(=O)N(CC(=O)c1ccc(F)c(C)c1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL15033934 0.91 SMN1; SMN2 (0.44) NPSR1KDM4EKMT2ACA12CA1
SCHEMBL15020320 0.89 MAPT (0.45) MAPTNPSR1KDM4ETDP1KMT2A
SCHEMBL15033979 0.89 CETP (0.41) MAPTNPSR1KDM4ETDP1KMT2A
SCHEMBL17591515 0.89 MAOA (0.45) MAPTNPSR1KDM4ETDP1KMT2A
SCHEMBL15033991 0.86 MAPT (0.43) MAPTNPSR1KDM4ETDP1KMT2A
SCHEMBL15033964 0.83 MAPT (0.45) MAPTNPSR1KDM4ETDP1KMT2A
SCHEMBL15033981 0.81 SMN1; SMN2 (0.54) MAPTNPSR1KDM4EKMT2AMEN1
SCHEMBL17591506 0.77 MAPT (0.42) MAPTNPSR1TDP1KMT2AMEN1
SCHEMBL6860586 0.74 SMN1; SMN2 (0.54) MAPTNPSR1KDM4ETDP1KMT2A
SCHEMBL28752206 0.72 TDP1 (0.49) MAPTNPSR1KDM4ETDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 — — US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 — — US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 — — US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 — — US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US 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 (2 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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 MAPT 271/4885NPSR1 363/4885KDM4E 1698/4885
US-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 MAPT 281/4885NPSR1 385/4885KDM4E 1915/4885

“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.