SCHEMBL2305553

SCHEMBL2305553

Cc1nc(CO)c(C(F)(F)F)o1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.42
ALDH1A1 P00352 4/20 0.36
DGAT1 O75907 1/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 1/20 0.33
PDE4B Q07343 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
DDR1 Q08345 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL12806575 0.82 FBP1 (0.40) FBP1ALDH1A1NPC1MAPTDDR1
SCHEMBL24423863 0.80 FBP1 (0.39) FBP1ALDH1A1NPC1MAPTPDE4B
SCHEMBL17859504 0.78 FBP1 (0.44) FBP1ALDH1A1DGAT1NPC1MAPT
SCHEMBL27934455 0.77 FBP1 (0.43) FBP1ALDH1A1DGAT1NPC1PKM
SCHEMBL621837 0.76 FBP1 (0.39) FBP1ALDH1A1NPC1MAPT
SCHEMBL2303949 0.72 FBP1 (0.40) FBP1ALDH1A1NPC1MAPTPKM
SCHEMBL4359441 0.72
SCHEMBL24424620 0.71 FBP1 (0.33) FBP1ALDH1A1DDR1
Ammonia Solution, Strong SCHEMBL29243817 0.70 FBP1 (0.39) FBP1ALDH1A1NPC1MAPTPKM
SCHEMBL25805739 0.70 FBP1 (0.39) FBP1ALDH1A1NPC1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
EP-2942350-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2015-11-11 EP disclosed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US disclosed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 US disclosed
CN-103664973-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2014-03-26 CN disclosed
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-09-26 US disclosed
US-8415370-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-04-09 US disclosed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US disclosed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US disclosed
CN-102256983-A Spirooxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-11-23 CN disclosed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 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 (5 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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 FBP1 3716/4885ALDH1A1 1020/4885DGAT1 3176/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 FBP1 3716/4885ALDH1A1 1020/4885DGAT1 3176/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 FBP1 3716/4885ALDH1A1 1020/4885DGAT1 3176/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 FBP1 3610/4885ALDH1A1 1005/4885DGAT1 3140/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 FBP1 3716/4885ALDH1A1 1020/4885DGAT1 3176/4885

“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.