Sugi Predict

Sugi Predict / Compounds / SCHEMBL15033979

SCHEMBL15033979

SCHEMBL15033979

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ LMNA P02545 2/20 0.36

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
SCHEMBL15033945 0.89 MAPT (0.41) MAPTNPSR1CA12CA1CA2
SCHEMBL15020320 0.87 MAPT (0.45) MAPTNPSR1CA12CA1CA2
SCHEMBL15033991 0.84 MAPT (0.43) MAPTNPSR1CA12CA1CA2
SCHEMBL15033964 0.81 MAPT (0.45) MAPTNPSR1KDM4ETDP1USP2
SCHEMBL15033934 0.80 SMN1; SMN2 (0.44) NPSR1CA12CA1CA2CA9
SCHEMBL15033981 0.80 SMN1; SMN2 (0.54) MAPTNPSR1KDM4EUSP2MEN1
SCHEMBL17591515 0.78 MAOA (0.45) MAPTNPSR1KDM4ETDP1CYP1A2
SCHEMBL30081035 0.78 MEN1 (0.50) MAPTKDM4ETDP1CYP1A2CYP3A4
SCHEMBL5773909 0.78 MEN1 (0.50) MAPTKDM4ETDP1CYP1A2CYP3A4
SCHEMBL17591506 0.75 MAPT (0.42) MAPTNPSR1TDP1USP2MEN1

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 CETP 2720/4885MAPT 271/4885NPSR1 363/4885
US-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 CETP 2712/4885MAPT 281/4885NPSR1 385/4885

“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.