SCHEMBL3003189

SCHEMBL3003189

O=C(O)CN1C(=O)C(O)(c2cc3c(cc2O)CCCC3)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SCN9A Q15858 7/20 0.45
CBX7 O95931 1/20 0.44
CDYL2 Q8N8U2 1/20 0.44
CDYL Q9Y232 1/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.41

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
SCHEMBL3008412 0.98 ALDH1A1 (0.43) ALDH1A1GAAMAPTSCN9ACBX7
SCHEMBL14506543 0.85 ALDH1A1 (0.64) ALDH1A1GAAMAPTSCN9ACBX7
SCHEMBL3014421 0.84 ALDH1A1 (0.41) ALDH1A1GAAMAPTSCN9ACBX7
SCHEMBL14506540 0.83 ALDH1A1 (0.61) ALDH1A1GAAMAPTCBX7CDYL2
SCHEMBL2995274 0.82 ALDH1A1 (0.43) ALDH1A1MAPTSCN9APTGDR2
SCHEMBL282087 0.82 PTGDR2 (0.40) ALDH1A1GAAMAPTSCN9ACBX7
SCHEMBL2998882 0.81 SCN9A (0.56) ALDH1A1MAPTSCN9A
SCHEMBL2999210 0.79 SCN9A (0.52) SCN9APTGDR2
SCHEMBL281821 0.78 CDYL (0.41) ALDH1A1GAAMAPTSCN9ACBX7
SCHEMBL3327230 0.77 CBX7 (0.37) ALDH1A1GAAMAPTSCN9ACBX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241834-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2017-11-08 EP disclosed
EP-2428515-B9 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-09-17 EP disclosed
EP-2752417-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2014-07-09 EP disclosed
EP-2428515-B1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-05-07 EP disclosed
US-8466188-B2 Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-06-18 US disclosed
US-20120122909-A9 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-05-17 US disclosed
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 US disclosed
US-20100130487-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-05-27 US disclosed
US-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-05-20 US disclosed
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO 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 (4 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-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A ALDH1A1 838/4885GAA 4464/4885MAPT 447/4885
US-20100130487-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A ALDH1A1 838/4885GAA 4464/4885MAPT 447/4885
US-20120122909-A9 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A ALDH1A1 838/4885GAA 4464/4885MAPT 447/4885
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B ALDH1A1 1202/4885GAA 4380/4885MAPT 109/4885

“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.