SCHEMBL17201670

SCHEMBL17201670

CCc1cc(-c2ccc(C(=O)OC)s2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
WNT3A P56704 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL17201646 0.88 KDM4E (0.50) CDC7DBF4HPGDCTSSCTSK
SCHEMBL16896393 0.82 HDAC6 (0.43) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL17201522 0.81 CTSS (0.42) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3648838 0.80 ERN1 (0.50) CDC7DBF4NPSR1HPGDTSHR
SCHEMBL19892455 0.80 CDC7 (0.52) CDC7DBF4HPGDHDAC6HDAC1
SCHEMBL5238765 0.77 HDAC3 (0.66) NPSR1HPGDHDAC6HDAC1HDAC3
SCHEMBL19892454 0.75 ALDH1A1 (0.51) HPGDHDAC6HDAC1HDAC3HDAC4
SCHEMBL6477476 0.75 KDM4E (0.58) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL17208104 0.75 HDAC1 (0.46) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL1235256 0.73 LMNA (0.60) NPSR1HPGDTSHRMAPK1ATM

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 CDC7 3894/4885DBF4 4550/4885NPSR1 583/4885

“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.