SCHEMBL17201623

SCHEMBL17201623

O=C(O)c1sc(-c2cncnc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
PTPN1 P18031 5/20 0.38
HCAR2 Q8TDS4 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ERN1 O75460 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
STING1 Q86WV6 1/20 0.35
PTPRF P10586 2/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
AR P10275 1/20 0.34
CDC7 O00311 1/20 0.33

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
SCHEMBL14367853 0.83 MKNK1 (0.55) PTPN1HCAR2ERN1AKR1C3AKR1C2
SCHEMBL17201504 0.81 IKBKB (0.48) ADORA1CTSSCTSKPOLBKMT2A
Hydrochloric Acid SCHEMBL5653571 0.81 MKNK1 (0.54) PTPN1HCAR2ERN1AKR1C3AKR1C2
SCHEMBL5651907 0.77 PTPN1 (0.55) PTPN1MEN1POLBKMT2AMAPT
SCHEMBL17201637 0.70 MAPK14 (0.44) HCAR2ERN1AKR1C3AKR1C2MKNK1
SCHEMBL17212188 0.68 HCAR2 (0.43) ADORA1HCAR2CTSSCTSKERN1
SCHEMBL18701693 0.68 DAO (0.41) PTPN1MEN1KMT2AMAPTSTING1
SCHEMBL17208101 0.67 MKNK1 (0.70) MEN1POLBKMT2AMKNK1MKNK2
SCHEMBL18701659 0.66 DAO (0.45) HCAR2MEN1KMT2AMAPTMAPK14
SCHEMBL13612856 0.65 ALDH1A1 (0.35) PTPN1MEN1POLBKMT2AMAPT

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 4 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
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 ADORA1 1328/4885PTPN1 2830/4885HCAR2 455/4885

“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.