SCHEMBL17201504

SCHEMBL17201504

COC(=O)c1sc(-c2cncnc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.48
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5652096 0.85 CYP19A1 (0.49) IKBKBKDM4EMAPTALDH1A1LMNA
SCHEMBL17201623 0.81 ADORA1 (0.39) IKBKBMAPTPOLBCTSSCTSK
SCHEMBL24131842 0.75 NPSR1 (0.51) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL17201582 0.73 RPS6KB1 (0.43) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL19892312 0.71 MKNK1 (0.50) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL1330002 0.70 HSD17B1 (0.51) IKBKBKDM4EMAPTNPC1CASP3
SCHEMBL17203200 0.69 MAPT (0.42) IKBKBKDM4EMAPTALDH1A1LMNA
SCHEMBL20893814 0.69 MAPT (0.42) IKBKBKDM4EMAPTNPC1CASP3
SCHEMBL20894133 0.69 MAPT (0.42) IKBKBKDM4EMAPTALDH1A1LMNA
SCHEMBL17201662 0.69 TSHR (0.42) IKBKBKDM4EMAPTALDH1A1LMNA

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 IKBKB 19/4885KDM4E 997/4885MAPT 2647/4885

“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.