SCHEMBL17201555

SCHEMBL17201555

Cc1cc(-c2cnc(C(=O)OC(=O)C(F)(F)F)s2)cnn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.35
POLQ O75417 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
LIPG Q9Y5X9 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL17201551 0.81 AAK1 (0.39) AAK1POLQCTSSCTSKHSD17B1
Trifluoroacetic Acid SCHEMBL17201554 0.81 CTSS (0.36) AAK1POLQCTSSCTSKHSD17B1
SCHEMBL17201526 0.81 HSD17B1 (0.34) CTSSCTSKHSD17B1HSD17B2HDAC4
SCHEMBL17201600 0.78 CTSS (0.37) CTSSCTSKHSD17B1HSD17B2
SCHEMBL17201559 0.76 CTSS (0.35) CTSSCTSKHDAC4HDAC6
SCHEMBL17201550 0.74 CDC7 (0.44) AAK1CTSSCTSKHSD17B1HSD17B2
SCHEMBL17204976 0.72 CDC7 (0.36) CTSSCTSKHDAC6
SCHEMBL17201564 0.71 CES1 (0.46) HDAC4HDAC6
SCHEMBL17201544 0.71 AAK1 (0.36) AAK1CTSSCTSK
SCHEMBL17205296 0.68 CTSS (0.33) CTSSCTSKHDAC4

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 AAK1 640/4885POLQ 2551/4885CTSS 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.