SCHEMBL17201568

SCHEMBL17201568

O=C(O)c1ccc(-c2cc(C3CC3)cnn2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HDAC4 P56524 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.40
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.38

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
SCHEMBL17201518 0.81 HDAC3 (0.40) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL17201692 0.73 KDM4E (0.46) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL17591953 0.72 KDM4E (0.45) KDM4EHDAC4GLASMN1; SMN2KMT2A
SCHEMBL17204873 0.70 KDM4E (0.60) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL17201611 0.68 KDM4E (0.63) KDM4EALDH1A1GAAMKNK1MKNK2
Trifluoroacetic Acid SCHEMBL17201689 0.67 CTSS (0.39) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL593023 0.67 MEN1 (0.65) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL17201612 0.67 KDM4E (0.58) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL6261107 0.67 KMT2A (0.57) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL15376460 0.66 KCNJ6 (0.50) KDM4EHDAC4RPS6KB2POLBRAB9A

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 CTSS 33/4885CTSK 1/4885KDM4E 997/4885

“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.