SCHEMBL281692

SCHEMBL281692

CCC(C(=O)O)N1C(=O)C(=O)c2c(Cl)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
TGM2 P21980 2/20 0.40
AADAT Q8N5Z0 1/20 0.40
MAP3K5 Q99683 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 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
SCHEMBL9107630 0.88 BCL2 (0.44) KMT2ATGM2AADATTRPA1
SCHEMBL281961 0.84 MAPT (0.37) KMT2AAADATMAP3K5KDM4EGAA
SCHEMBL9105317 0.80 CCKBR (0.39) KMT2ATGM2AADATTRPA1
SCHEMBL281797 0.77 CES1 (0.51) KMT2ATGM2KDM4EGAAMEN1
SCHEMBL9107280 0.77 SMN1; SMN2 (0.40) KMT2ATGM2MAPTMEN1ALDH1A1
SCHEMBL281661 0.74 ALDH3A1 (0.48) AADATMAP3K5KDM4EALDH1A1
SCHEMBL2304261 0.73 IDO1 (0.42) KMT2ATGM2KDM4EMAPTMEN1
SCHEMBL9107293 0.72 CCKBR (0.39) KMT2ATGM2MEN1
SCHEMBL28138059 0.70 L3MBTL1 (0.48) TGM2KDM4EGAACASP1MAPT
SCHEMBL9105927 0.70 GCK (0.45) KMT2AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B KMT2A 1139/4885TGM2 3950/4885AADAT 2747/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A KMT2A 2666/4885TGM2 4811/4885AADAT 3145/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A KMT2A 2666/4885TGM2 4811/4885AADAT 3145/4885

“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.