SCHEMBL281582

SCHEMBL281582

CCC(C(=O)O)N1C(=O)C(O)(c2cc3c(cc2O)OCC3)c2c(Cl)cccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 11/20 0.36
ALDH1A1 P00352 2/20 0.33
OGA O60502 1/20 0.32
FABP3 P05413 3/20 0.32
SCN9A Q15858 2/20 0.32
FABP5 Q01469 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM5 P08912 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL282146 0.90 ALDH1A1 (0.33) ALDH1A1OGASCN9ANPC1POLB
SCHEMBL282052 0.88 FABP4 (0.37) FABP4ALDH1A1OGAFABP3SCN9A
SCHEMBL281984 0.87 PTGDR2 (0.34) FABP4ALDH1A1SCN9APOLBTAS1R3
SCHEMBL2304958 0.85 FABP4 (0.35) FABP4ALDH1A1OGAFABP3SCN9A
SCHEMBL280656 0.82 FABP4 (0.36) FABP4FABP3SCN9AFABP5
SCHEMBL3010443 0.82 FABP4 (0.37) FABP4ALDH1A1SCN9A
SCHEMBL27791534 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL281957 0.79 ALDH1A1 (0.31) FABP4ALDH1A1OGASCN9ANPC1
SCHEMBL282010 0.78 PTGDR2 (0.33) FABP4ALDH1A1POLB
SCHEMBL281862 0.76 SCN9A (0.48) ALDH1A1SCN9A

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 FABP4 2882/4885ALDH1A1 1136/4885OGA 562/4885
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B FABP4 4442/4885ALDH1A1 1202/4885OGA 1337/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A FABP4 4712/4885ALDH1A1 838/4885OGA 1510/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A FABP4 4712/4885ALDH1A1 838/4885OGA 1510/4885

“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.