SCHEMBL17201499

SCHEMBL17201499

Cc1ncc(-c2cnc(C(=O)O)s2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
KDR P35968 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
CSNK2A2 P19784 2/20 0.34
HDAC1 Q13547 2/20 0.34

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
Trifluoroacetic Acid SCHEMBL17201525 0.91 HDAC6 (0.37) CSNK2A1HCAR2KDM4EALDH1A1GAA
SCHEMBL31301407 0.80 CSNK2A1 (0.50) CSNK2A1KDM4EALDH1A1GAARAB9A
SCHEMBL17212188 0.79 HCAR2 (0.43) CSNK2A1HCAR2KDM4EALDH1A1GAA
SCHEMBL17201608 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B1HSD17B2CTSSCTSK
SCHEMBL13437383 0.77 KDR (0.56) CSNK2A1ALDH1A1NPC1POLBRAB9A
SCHEMBL16102044 0.76 KDR (0.54) CSNK2A1ALDH1A1NPC1POLBRAB9A
SCHEMBL17201580 0.75 KDM4E (0.68) HCAR2KDM4EALDH1A1GAANPC1
SCHEMBL17053175 0.75 WNT3A (0.48) CSNK2A1HSD17B1HSD17B2CTSSCTSK
SCHEMBL12688213 0.75 HSD17B1 (0.65) KDM4ENPC1POLBRAB9AHSD17B1
SCHEMBL14496869 0.74 CSNK2A1 (0.47) CSNK2A1ERCC5FEN1KDRHDAC6

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 CSNK2A1 1175/4885HCAR2 455/4885KDM4E 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.