SCHEMBL281661

SCHEMBL281661

CCC(C(=O)O)N1C(=O)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 6/20 0.48
ALDH1A1 P00352 3/20 0.48
ALDH2 P05091 3/20 0.48
MAP3K5 Q99683 2/20 0.44
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.39
MYC P01106 1/20 0.38
NR4A1 P22736 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
DNMT1 P26358 1/20 0.37

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
SCHEMBL9105740 0.86 ALDH1A1 (0.46) ALDH3A1ALDH1A1ALDH2
SCHEMBL1895648 0.83 CUL4A (0.53) ALDH3A1ALDH1A1ALDH2MAP3K5DNMT1
SCHEMBL2480595 0.83 ALDH3A1 (0.47) ALDH3A1ALDH1A1ALDH2KDM4EAGTR1
SCHEMBL281797 0.81 CES1 (0.51) ALDH3A1ALDH1A1ALDH2KDM4EAGTR1
SCHEMBL9109081 0.80 ALDH1A1 (0.42) ALDH3A1ALDH1A1ALDH2
SCHEMBL2482727 0.80 ALDH3A1 (0.44) ALDH3A1ALDH1A1ALDH2AGTR1MYC
SCHEMBL11192451 0.77 ALDH3A1 (0.49) ALDH3A1ALDH1A1ALDH2AGTR1
SCHEMBL9108726 0.77 NPSR1 (0.42) ALDH3A1ALDH1A1ALDH2
SCHEMBL9105660 0.77 BCL2 (0.42) ALDH3A1ALDH1A1ALDH2
SCHEMBL2003570 0.74 P2RX3 (0.42) ALDH1A1MAP3K5KDM4EAADAT

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 ALDH3A1 414/4885ALDH1A1 1202/4885ALDH2 2336/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A ALDH3A1 304/4885ALDH1A1 838/4885ALDH2 1218/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A ALDH3A1 304/4885ALDH1A1 838/4885ALDH2 1218/4885

“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.