SCHEMBL15033934

SCHEMBL15033934

CCOC(=O)CC(=O)N(CC(=O)c1ccc(F)c(C)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
MAPK14 Q16539 1/20 0.38
PIM1 P11309 1/20 0.38
NLRP3 Q96P20 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 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
SCHEMBL15033945 0.91 MAPT (0.41) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL15033965 0.80 TSHR (0.47) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL17591515 0.80 MAOA (0.45) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL15033979 0.80 CETP (0.41) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL15020320 0.79 MAPT (0.45) CA12CA1CA2CA9KMT2A
SCHEMBL20169531 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL15033991 0.76 MAPT (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL15033981 0.75 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL1032203 0.74 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL15033964 0.74 MAPT (0.45) SMN1; SMN2KMT2AMEN1GAAKDM4E

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 SMN1; SMN2 2379/4885CA12 4668/4885CA1 2090/4885
US-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 SMN1; SMN2 2436/4885CA12 4667/4885CA1 2227/4885

“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.