SCHEMBL17201684

SCHEMBL17201684

CC(C)(C)OC(=O)c1ncc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FPR3 P25089 2/20 0.37
FPR2 P25090 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK10 P53779 1/20 0.36
FFAR2 O15552 1/20 0.35
HPGDS O60760 1/20 0.35
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 5/20 0.35
GABRA5 P31644 4/20 0.35
GABRA4 P48169 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL17204952 0.81 GPR119 (0.37) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL17205029 0.80 GPR119 (0.40) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL12766570 0.79 MAPK1 (0.43) ALDH1A1SMN1; SMN2MAPK10CCNE1CDK2
SCHEMBL17204004 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDSGABRA1GABRG2
SCHEMBL20468298 0.77 USP30 (0.43) ALDH1A1FPR3FPR2SMN1; SMN2MAPK10
SCHEMBL1641657 0.75 CDC7 (0.44) ALDH1A1SMN1; SMN2MAPK10GABRA1GABRG2
SCHEMBL21912862 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDSGABRA1GABRG2
SCHEMBL2041856 0.75 FPR3 (0.35) ALDH1A1FPR3FPR2SMN1; SMN2MAPK10
SCHEMBL28112420 0.75 ALDH1A1 (0.48) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL1808824 0.74

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 11 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
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
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
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
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 US 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 ALDH1A1 886/4885FPR3 101/4885FPR2 221/4885

“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.