SCHEMBL17201524

SCHEMBL17201524

COC(=O)c1ccc(-c2cn[n+]([O-])c(C)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
NPC1 O15118 2/20 0.42
GLA P06280 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ERN1 O75460 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL17201539 0.75 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6477476 0.74 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17208107 0.72 HSD17B1 (0.56) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL19892312 0.72 MKNK1 (0.50) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL1235256 0.72 LMNA (0.60) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL12348717 0.71 HSD17B1 (0.56) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL27141132 0.71 RAB9A (0.54) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17201687 0.71 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6498557 0.71 DAO (0.52) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17208104 0.71 HDAC1 (0.46) KDM4ESMN1; SMN2ALDH1A1GAANPC1

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 KDM4E 997/4885SMN1; SMN2 2157/4885ALDH1A1 886/4885

“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.