SCHEMBL3777862

SCHEMBL3777862

CCCCOC(=O)C1(NC(=O)OC(C)(C)C)CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
MAPT P10636 2/20 0.33
GHSR Q92847 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL3777857 1.00 CTSK (0.35) CTSKCTSLCTSBSMN1; SMN2LMNA
SCHEMBL13012358 0.84 PIK3CD (0.33) CTSLCTSBGHSRHCRTR2PIK3CD
SCHEMBL14463166 0.82 GAA (0.35) CTSLCTSBSMN1; SMN2MAPTGHSR
SCHEMBL18482456 0.80 TLR2 (0.38) CTSKCTSLTLR2TLR1GHSR
SCHEMBL2809501 0.80 CA12 (0.40) CTSKLMNATLR2TLR1GHSR
SCHEMBL10071780 0.79 RAB9A (0.34) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL2746842 0.79 GHSR (0.36) CTSKCTSLCTSBSMN1; SMN2TLR2
SCHEMBL18482458 0.79 GHSR (0.38) CTSKLMNATLR2TLR1GHSR
SCHEMBL2566097 0.77 GAA (0.36) CTSKCTSLCTSBSMN1; SMN2GHSR
SCHEMBL29203009 0.77 GAA (0.36) CTSKCTSLCTSBSMN1; SMN2GHSR

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 4 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
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 CTSK 2402/4885CTSL 1328/4885CTSB 3329/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 CTSK 2282/4885CTSL 1225/4885CTSB 3134/4885

“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.