SCHEMBL17201544

SCHEMBL17201544

Cc1nccc(-c2cnc(C(=O)OC(=O)C(F)(F)F)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 13/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
WNT3A P56704 1/20 0.32
LIMK1 P53667 1/20 0.32
CES1 P23141 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
SCHEMBL17201501 0.81 AAK1 (0.41) AAK1CTSSCTSKDYRK1AKDM4E
Trifluoroacetic Acid SCHEMBL17201543 0.81 SORT1 (0.37) AAK1CTSSCTSKDYRK1AKDM4E
SCHEMBL17205296 0.80 CTSS (0.33) CTSSCTSKKDM4ELIMK1CES1
SCHEMBL17201564 0.79 CES1 (0.46) KDM4EGLAGAARAB9ALMNA
SCHEMBL17201526 0.78 HSD17B1 (0.34) CTSSCTSK
SCHEMBL17204976 0.77 CDC7 (0.36) CTSSCTSKKDM4ERAB9AL3MBTL1
SCHEMBL17201550 0.74 CDC7 (0.44) AAK1CTSSCTSKWNT3A
SCHEMBL17201555 0.71 AAK1 (0.35) AAK1CTSSCTSK
SCHEMBL17201559 0.70 CTSS (0.35) CTSSCTSK
SCHEMBL17201600 0.68 CTSS (0.37) 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 4 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
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 640/4885CTSS 33/4885CTSK 1/4885

“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.