SCHEMBL281082

SCHEMBL281082

CCC(C(=O)O)N1C(=O)C(CO)(c2cc3c(cc2O)OCO3)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.47
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 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
SCHEMBL281862 0.86 SCN9A (0.48) SCN9AGAATSHRALDH1A1MEN1
SCHEMBL15312872 0.85 SCN9A (0.47) SCN9AGAATSHRALDH1A1MEN1
SCHEMBL281473 0.85 SCN9A (0.47) SCN9AGAATSHRALDH1A1MEN1
SCHEMBL281522 0.84 SCN9A (0.33) SCN9AALDH1A1MEN1KMT2AMAPT
SCHEMBL282109 0.83 CDYL (0.38) SCN9AGAATSHRALDH1A1MAPT
SCHEMBL281452 0.83 CDYL (0.36) SCN9AGAAALDH1A1MEN1KMT2A
SCHEMBL27728419 0.83 SCN9A (0.46) SCN9AGAATSHRALDH1A1MEN1
SCHEMBL15314983 0.81 SCN9A (0.53) SCN9AGAATSHRMAPTTHRB
SCHEMBL484040 0.81 CBX7 (0.33) SCN9AGAAALDH1A1
SCHEMBL3007855 0.80 SCN9A (0.52) SCN9AGAATSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US claimed
EP-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed
EP-2073806-B1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-15 EP disclosed
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed
US-8106087-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-01-31 US disclosed
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-10-13 US disclosed
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-07-14 US disclosed
US-7935721-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2011-05-03 US disclosed
US-7700641-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-04-20 US disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 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 (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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 SCN9A 148/4885GAA 3046/4885TSHR 3433/4885
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B SCN9A 2100/4885GAA 4380/4885TSHR 1059/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A SCN9A 47/4885GAA 4464/4885TSHR 1593/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A SCN9A 47/4885GAA 4464/4885TSHR 1593/4885

“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.