SCHEMBL17201583

SCHEMBL17201583

CC(C)(C)OC(=O)c1ncc(-c2cnc(C(F)(F)F)nc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGDS O60760 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
USP30 Q70CQ3 2/20 0.33
GABRA4 P48169 1/20 0.33
P2RX3 P56373 7/20 0.33
P2RX2 Q9UBL9 7/20 0.33
PDPK1 O15530 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL17201608 0.84 ALDH1A1 (0.37) ALDH1A1HPGDSCTSSCTSKGABRA1
SCHEMBL17212189 0.81 ALDH1A1 (0.37) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL17201559 0.81 CTSS (0.35) CTSSCTSKHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL17201556 0.75 HDAC6 (0.37) ALDH1A1CTSSCTSKHDAC6HDAC1
SCHEMBL17204740 0.73 CDC7 (0.40) ALDH1A1USP30
SCHEMBL17201551 0.73 AAK1 (0.39) ALDH1A1HPGDSCTSSCTSKHDAC6
SCHEMBL17201684 0.72 ALDH1A1 (0.41) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL17201686 0.72 CES1 (0.48) ALDH1A1HPGDSHDAC6HDAC1GABRA1
SCHEMBL17201626 0.71 CDC7 (0.46) ALDH1A1HPGDSCTSSCTSKGABRA1
SCHEMBL17201693 0.70 CTSS (0.39) ALDH1A1HPGDSCTSSCTSKGABRA1

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 ALDH1A1 886/4885HPGDS 495/4885CTSS 33/4885

“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.