SCHEMBL9962945

SCHEMBL9962945

C=CCC(CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(Br)cc1)(N[S+]([O-])C(C)(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3211002 0.92 KMT2A (0.35) KMT2AMEN1SMN1; SMN2
SCHEMBL3210998 0.92 KMT2A (0.35) KMT2AMEN1SMN1; SMN2
SCHEMBL9962948 0.89
SCHEMBL13010784 0.84 AAK1 (0.30)
SCHEMBL3768867 0.84 AAK1 (0.30)
SCHEMBL13010742 0.81 CACNA1G (0.32)
SCHEMBL3200179 0.81
SCHEMBL12165947 0.80 RIPK1 (0.33) KMT2AMEN1SMN1; SMN2
SCHEMBL3770808 0.79
SCHEMBL3657601 0.75 SMN1; SMN2 (0.30) KMT2AMEN1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202857-B2 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 KMT2A 4339/4885MAPT 3672/4885MEN1 615/4885

“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.