SCHEMBL17201526

SCHEMBL17201526

Cc1ncc(-c2cnc(C(=O)OC(=O)C(F)(F)F)s2)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 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
SCHEMBL17201559 0.86 CTSS (0.35) HDAC4HDAC6CTSSCTSK
SCHEMBL17201555 0.81 AAK1 (0.35) HSD17B1HSD17B2HDAC4HDAC6CTSS
SCHEMBL17201608 0.78 ALDH1A1 (0.37) HSD17B1HSD17B2CTSSCTSKALDH1A1
Trifluoroacetic Acid SCHEMBL17201525 0.78 HDAC6 (0.37) HSD17B1HSD17B2HDAC4HDAC6CTSS
SCHEMBL17201544 0.78 AAK1 (0.36) CTSSCTSK
SCHEMBL17201600 0.78 CTSS (0.37) HSD17B1HSD17B2CTSSCTSK
SCHEMBL17204976 0.77 CDC7 (0.36) HDAC6CTSSCTSKALDH1A1
SCHEMBL17201550 0.76 CDC7 (0.44) HSD17B1HSD17B2HDAC4HDAC6CTSS
SCHEMBL17201564 0.76 CES1 (0.46) HDAC4HDAC6ALDH1A1
SCHEMBL17201499 0.74 CSNK2A1 (0.40) HSD17B1HSD17B2HDAC6CTSSCTSK

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 HSD17B1 3237/4885HSD17B2 3056/4885HDAC4 1433/4885

“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.