SCHEMBL17201693

SCHEMBL17201693

Cc1cc(-c2cnc(C(=O)OC(C)(C)C)s2)cn[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PDPK1 O15530 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
USP30 Q70CQ3 1/20 0.31
GRM6 O15303 1/20 0.30
HPGDS O60760 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
SCHEMBL17201600 0.82 CTSS (0.37) CTSSCTSKHSD17B1HSD17B2
Trifluoroacetic Acid SCHEMBL17201599 0.78 CTSS (0.39) CTSSCTSKHSD17B1HSD17B2ALDH1A1
SCHEMBL17201608 0.76 ALDH1A1 (0.37) CTSSCTSKHSD17B1HSD17B2ALDH1A1
SCHEMBL17201551 0.76 AAK1 (0.39) CTSSCTSKHSD17B1HSD17B2ALDH1A1
SCHEMBL17201527 0.74 GABRA1 (0.34) HSD17B1HSD17B2ALDH1A1PDPK1GABRA1
SCHEMBL17212189 0.73 ALDH1A1 (0.37) HSD17B1HSD17B2ALDH1A1PDPK1GABRA1
SCHEMBL17201583 0.70 ALDH1A1 (0.35) CTSSCTSKHSD17B1HSD17B2ALDH1A1
SCHEMBL17201626 0.69 CDC7 (0.46) CTSSCTSKHSD17B1HSD17B2ALDH1A1
SCHEMBL17204740 0.69 CDC7 (0.40) ALDH1A1USP30
SCHEMBL17201686 0.68 CES1 (0.48) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO 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
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 CTSS 33/4885CTSK 1/4885HSD17B1 3237/4885

“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.