SCHEMBL17201626

SCHEMBL17201626

CCc1cc(-c2cnc(C(=O)OC(C)(C)C)s2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
SREBF2 Q12772 3/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AAK1 Q2M2I8 3/20 0.39
SREBF1 P36956 1/20 0.36
PDPK1 O15530 1/20 0.36
WNT3A P56704 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGDS O60760 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 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
SCHEMBL17201550 0.82 CDC7 (0.44) CDC7DBF4SREBF2CTSSCTSK
Trifluoroacetic Acid SCHEMBL17201540 0.78 CDC7 (0.44) CDC7DBF4SREBF2CTSSCTSK
SCHEMBL17201527 0.77 GABRA1 (0.34) PDPK1ALDH1A1HPGDSHSD17B1HSD17B2
SCHEMBL17201608 0.74 ALDH1A1 (0.37) CTSSCTSKPDPK1ALDH1A1HPGDS
SCHEMBL17212189 0.74 ALDH1A1 (0.37) PDPK1ALDH1A1HPGDSHSD17B1HSD17B2
SCHEMBL17201686 0.74 CES1 (0.48) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL17204740 0.72 CDC7 (0.40) CDC7DBF4ALDH1A1CYP1A2
SCHEMBL17201670 0.72 CDC7 (0.48) CDC7DBF4SREBF2CTSSCTSK
SCHEMBL17201551 0.72 AAK1 (0.39) CTSSCTSKAAK1PDPK1ALDH1A1
SCHEMBL17201501 0.72 AAK1 (0.41) CTSSCTSKAAK1ALDH1A1

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 CDC7 3894/4885DBF4 4550/4885SREBF2 4600/4885

“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.