SCHEMBL3774872

SCHEMBL3774872

CN1CCc2ccc(NC(=O)[C@@]3(NC(=O)c4ccc(Cl)s4)CCOC3)cc2C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
WDR91 A4D1P6 1/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 13/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BACE1 P56817 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
SCHEMBL3766853 1.00 KMT2A (0.38) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3766857 1.00 KMT2A (0.38) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL13012573 0.91 BACE1 (0.38) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3766845 0.90 KMT2A (0.42) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL2573467 0.90 KMT2A (0.42) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3781597 0.90 KMT2A (0.42) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3036880 0.87 KMT2A (0.37) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3017351 0.85 WDR91 (0.40) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3027948 0.84 KMT2A (0.43) KMT2ALMNAMAPK1WDR91MEN1
SCHEMBL3777692 0.84 KMT2A (0.37) KMT2ALMNAMAPK1WDR91MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
WO-2008080891-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-10 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 (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-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 KMT2A 3845/4885LMNA 3876/4885MAPK1 2254/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 KMT2A 3757/4885LMNA 3815/4885MAPK1 2178/4885

“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.