SCHEMBL3328138

SCHEMBL3328138

CN1C(=O)Cc2cc3c(cc21)OCCO3

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TRIM24 O15164 2/20 0.38
PKM P14618 4/20 0.36
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
LMNA P02545 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
IDO1 P14902 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL6249626 0.77 ALDH1A1 (0.37) ALDH1A1GAATRIM24PKMBMPR1B
SCHEMBL6246545 0.73 SMYD3 (0.38) ALDH1A1GAATRIM24PKMBMPR1B
SCHEMBL16907886 0.73 PKM (0.48) ALDH1A1GAATRIM24PKMBMPR1B
SCHEMBL11524413 0.72 PKM (0.44) ALDH1A1GAATRIM24PKMBMPR1B
SCHEMBL11530580 0.72 BMPR1B (0.45) ALDH1A1GAATRIM24PKMBMPR1B
SCHEMBL24034829 0.71 TRPV1 (0.41) TRIM24
SCHEMBL10731717 0.70 ALDH1A1 (0.50) ALDH1A1GAAHPGDKMT2A
SCHEMBL3329787 0.68 CASP3 (0.46) ALDH1A1GAAPKMHTTHPGD
SCHEMBL26750442 0.68 BMPR1B (0.43) ALDH1A1GAATRIM24PKMBMPR1B
SCHEMBL6250607 0.67 TRIM24 (0.41) ALDH1A1GAATRIM24PKMBMPR1B

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-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
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
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 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 (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 ALDH1A1 1020/4885GAA 3403/4885TRIM24 3626/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885GAA 3403/4885TRIM24 3626/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885GAA 3403/4885TRIM24 3626/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 ALDH1A1 1005/4885GAA 3290/4885TRIM24 3721/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885GAA 3403/4885TRIM24 3626/4885

“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.