SCHEMBL17201527

SCHEMBL17201527

CCc1cc(-c2cnc(C(=O)OC(C)(C)C)s2)cc[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRA6 Q16445 5/20 0.34
PDPK1 O15530 1/20 0.34
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
HPGDS O60760 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC7A5 Q01650 1/20 0.31
GABRB2 P47870 2/20 0.31
PTPRB P23467 1/20 0.31
HDAC6 Q9UBN7 5/20 0.31
HDAC1 Q13547 4/20 0.31
GABRA4 P48169 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 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
SCHEMBL17201626 0.77 CDC7 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17201693 0.74 CTSS (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17201589 0.72 NPSR1 (0.43) HSD17B1HSD17B2HPGDSALDH1A1HDAC6
SCHEMBL17201608 0.72 ALDH1A1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17212189 0.72 ALDH1A1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17201551 0.69 AAK1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17201686 0.69 CES1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17201583 0.69 ALDH1A1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17204740 0.67 CDC7 (0.40) ALDH1A1KDM4EUSP30
SCHEMBL17205108 0.65 ALDH1A1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 779/4885GABRG2 1074/4885GABRB3 224/4885

“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.