SCHEMBL17201550

SCHEMBL17201550

CCc1cc(-c2cnc(C(=O)OC(=O)C(F)(F)F)s2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
WNT3A P56704 1/20 0.34
SREBF2 Q12772 2/20 0.34
SREBF1 P36956 1/20 0.34
NTRK1 P04629 1/20 0.33
PRKCI P41743 1/20 0.33
SYK P43405 1/20 0.33
HSD17B1 P14061 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
Trifluoroacetic Acid SCHEMBL17201540 0.82 CDC7 (0.44) CDC7DBF4CTSSCTSKAAK1
SCHEMBL17201626 0.82 CDC7 (0.46) CDC7DBF4CTSSCTSKAAK1
SCHEMBL17201526 0.76 HSD17B1 (0.34) CTSSCTSKHSD17B1HSD17B2HDAC4
SCHEMBL17201564 0.74 CES1 (0.46) HDAC4HDAC6
SCHEMBL17201544 0.74 AAK1 (0.36) CTSSCTSKAAK1WNT3A
SCHEMBL17201555 0.74 AAK1 (0.35) CTSSCTSKAAK1HSD17B1HSD17B2
SCHEMBL17201559 0.74 CTSS (0.35) CTSSCTSKHDAC4HDAC6
SCHEMBL17204976 0.73 CDC7 (0.36) CDC7DBF4CTSSCTSKCYP1A2
SCHEMBL17201600 0.71 CTSS (0.37) CTSSCTSKHSD17B1HSD17B2GRIN1
SCHEMBL17205296 0.71 CTSS (0.33) CTSSCTSKCYP2D6HDAC4

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 CDC7 3894/4885DBF4 4550/4885CTSS 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.