SCHEMBL17201531

SCHEMBL17201531

Cc1c(O)nnc(O)c1-c1ccc(C(=O)OC(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 2/20 0.33
ERN1 O75460 2/20 0.32
HDAC6 Q9UBN7 3/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL8549434 0.74 TSHR (0.44) GRM6ALDH1A1HPGDHDAC6HDAC4
SCHEMBL17201507 0.71 ALDH1A1 (0.35) GRM6ALDH1A1HPGDHDAC6HDAC4
SCHEMBL4345360 0.71 DAO (0.53) GRM6ALDH1A1HPGDHDAC6HDAC4
SCHEMBL5043396 0.70 CES2 (0.53) ALDH1A1HPGDTSHRMAPK1ATM
SCHEMBL14100232 0.69 AAK1 (0.41) ALDH1A1
SCHEMBL17201588 0.68 ALDH1A1 (0.36) ALDH1A1HPGDHDAC1
SCHEMBL8549436 0.68 DAO (0.48) GRM6ALDH1A1HPGDHDAC6HDAC4
SCHEMBL5919206 0.68 LMNA (0.53) GRM6ALDH1A1HPGDHDAC6HDAC4
SCHEMBL17201521 0.67 ALDH1A1 (0.34) ALDH1A1HSD17B1HSD17B2
SCHEMBL16942053 0.66 ALDH1A1 (0.39) GRM6ALDH1A1HPGDHDAC6HDAC4

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-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 EP disclosed
WO-2015161924-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 WO disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 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 (1 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT GRM6 1506/4885ALDH1A1 886/4885HPGD 614/4885

“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.