SCHEMBL3775869

SCHEMBL3775869

CC(C)COC(=O)[C@]1(NC(=O)c2ccc(Cl)s2)CCOC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F10 P00742 5/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 5/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 4/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3775873 1.00 SMN1; SMN2 (0.40) SMN1; SMN2HPGDALDH1A1CASP1NPSR1
SCHEMBL13012380 0.86 KMT2A (0.42) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A
SCHEMBL13012386 0.86 KMT2A (0.42) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A
SCHEMBL3036022 0.82 F10 (0.36) SMN1; SMN2HPGDALDH1A1NPSR1F10
SCHEMBL13012349 0.82 F10 (0.36) SMN1; SMN2HPGDALDH1A1NPSR1F10
SCHEMBL13012340 0.81 TMIGD3 (0.35) SMN1; SMN2HPGDALDH1A1F10KMT2A
SCHEMBL3774208 0.80 HPGD (0.42) SMN1; SMN2HPGDALDH1A1NPSR1MAPK1
SCHEMBL14477387 0.80 HPGD (0.42) SMN1; SMN2HPGDALDH1A1NPSR1MAPK1
SCHEMBL2566642 0.80 HPGD (0.42) SMN1; SMN2HPGDALDH1A1NPSR1MAPK1
SCHEMBL2566643 0.70 SMN1; SMN2 (0.40) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A

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 5 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-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

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 SMN1; SMN2 2225/4885HPGD 1480/4885ALDH1A1 387/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 SMN1; SMN2 2103/4885HPGD 1462/4885ALDH1A1 367/4885

“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.