SCHEMBL3774208

SCHEMBL3774208

O=C(N[C@@]1(C(=O)O)CCOC1)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
DAO P14920 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL14477387 1.00 HPGD (0.42) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL2566642 1.00 HPGD (0.42) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL13012386 0.86 KMT2A (0.42) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL13012380 0.86 KMT2A (0.42) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL2569569 0.84 HTT (0.48) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL14477267 0.82 CTSL (0.34) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14477264 0.82 CTSL (0.34) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3036022 0.81 F10 (0.36) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL13012349 0.81 F10 (0.36) HPGDLMNAKMT2AMEN1NPC1
SCHEMBL5111694 0.81 DAO (0.46) HPGDLMNAKMT2AMEN1NPC1

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-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
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
EP-2114909-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP 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
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 HPGD 1480/4885LMNA 3876/4885KMT2A 3845/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 HPGD 1462/4885LMNA 3815/4885KMT2A 3757/4885

“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.