SCHEMBL17201559

SCHEMBL17201559

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC4 P56524 1/20 0.33

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
SCHEMBL17201526 0.86 HSD17B1 (0.34) CTSSCTSKHDAC6HDAC4
SCHEMBL17201583 0.81 ALDH1A1 (0.35) CTSSCTSKHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL17201556 0.78 HDAC6 (0.37) CTSSCTSKHDAC6HDAC1HDAC4
SCHEMBL17204976 0.77 CDC7 (0.36) CTSSCTSKHDAC6HDAC1
SCHEMBL17201564 0.76 CES1 (0.46) HDAC6HDAC1HDAC4
SCHEMBL17201555 0.76 AAK1 (0.35) CTSSCTSKHDAC6HDAC4
SCHEMBL17201550 0.74 CDC7 (0.44) CTSSCTSKHDAC6HDAC4
SCHEMBL17201600 0.73 CTSS (0.37) CTSSCTSK
SCHEMBL17205296 0.72 CTSS (0.33) CTSSCTSKHDAC4
SCHEMBL17201544 0.70 AAK1 (0.36) CTSSCTSK

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 CTSS 33/4885CTSK 1/4885HDAC6 533/4885

“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.