SCHEMBL281678

SCHEMBL281678

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GLRA3 O75311 1/20 0.36
GLRA1 P23415 1/20 0.36
GLRB P48167 1/20 0.36
GSK3B P49841 1/20 0.36
EDNRA P25101 3/20 0.36
EDNRB P24530 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
P4HB P07237 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B2 P37059 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL281949 0.83 MAPT (0.35) ALDH1A1TSHRGAAHPGDKDM4E
SCHEMBL281099 0.83 P4HB (0.47) SCN9AALDH1A1GLRA3GLRA1GLRB
SCHEMBL281245 0.82 ALDH1A1 (0.36) SCN9ALMNAALDH1A1TSHRGAA
SCHEMBL281937 0.82 CBX7 (0.34) LMNAALDH1A1TSHRGAAPPARG
SCHEMBL27707816 0.80 LMNA (0.43) SCN9ALMNAALDH1A1GLRA3GLRA1
SCHEMBL2994860 0.79 SCN9A (0.52) SCN9AALDH1A1GSK3BTSHRGAA
SCHEMBL10985348 0.78 MAPT (0.37) SCN9AALDH1A1GAAKDM4E
SCHEMBL281769 0.77 SCN9A (0.75) SCN9AALDH1A1PPARG
SCHEMBL2305458 0.76 P4HB (0.40) SCN9ALMNATSHRP4HBHPGD
SCHEMBL282036 0.76 SCN9A (0.74) SCN9AALDH1A1PPARG

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 148/4885LMNA 3350/4885ALDH1A1 1136/4885
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B SCN9A 2100/4885LMNA 1673/4885ALDH1A1 1202/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A SCN9A 47/4885LMNA 670/4885ALDH1A1 838/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A SCN9A 47/4885LMNA 670/4885ALDH1A1 838/4885

“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.