SCHEMBL17201680

SCHEMBL17201680

COC(=O)c1cc(F)c(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
MAPK1 P28482 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
CSNK2A2 P19784 1/20 0.41
KDR P35968 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
LMNA P02545 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
OPRD1 P41143 1/20 0.41
MAPT P10636 5/20 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
SCHEMBL1529974 0.82 GSK3B (0.53) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL261464 0.81 CSNK2A2 (0.45) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL17201685 0.79 DAO (0.45) PTPN2KDM4EALDH1A1MAPTNOTUM
SCHEMBL29271619 0.79 KDM4E (0.41) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL20892550 0.79 MRGPRX4 (0.43) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL8888390 0.77 MAPT (0.46) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL9431415 0.76 RPS6KB1 (0.44) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL20681570 0.75 PTGS1 (0.50) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL25352270 0.75 RPS6KB1 (0.41) PTPN2KDM4EHPGDMAPK1ALDH1A1
SCHEMBL20563670 0.75 PTPN2 (0.43) PTPN2KDM4EHPGDMAPK1ALDH1A1

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 PTPN2 3074/4885KDM4E 997/4885HPGD 614/4885

“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.