SCHEMBL17201518

SCHEMBL17201518

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ERN1 O75460 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
RCE1 Q9Y256 1/20 0.38
LMNA P02545 1/20 0.38
DHODH Q02127 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL17201516 0.82 ERN1 (0.46) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201568 0.81 CTSS (0.44) HDAC4CTSSCTSKKDM4EHPGD
SCHEMBL17201604 0.81 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17591804 0.76 CYP1A2 (0.41) KDM4EALDH1A1MAPTLMNADHODH
SCHEMBL17201566 0.74 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL29302395 0.70 CDC7 (0.42) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL19892393 0.70 CDC7 (0.53) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL2492178 0.70 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL622871 0.69 CDC7 (0.63) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201672 0.69 ERN1 (0.48) HDAC3HDAC4HDAC1HDAC6ERN1

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 HDAC3 1071/4885HDAC4 1433/4885HDAC1 642/4885

“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.