SCHEMBL281906

SCHEMBL281906

CCC(C(=O)O)N1C(=O)C(O)(c2cc(F)c(F)cc2O)c2c(Br)cccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.34
ALDH1A1 P00352 4/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PKM P14618 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL281967 0.87 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2
SCHEMBL281912 0.86
SCHEMBL282146 0.81 ALDH1A1 (0.33) GHSRALDH1A1
SCHEMBL281720 0.81 GHSR (0.30) GHSR
SCHEMBL3008401 0.79 GHSR (0.38) GHSRALDH1A1MAPTKMT2AMEN1
SCHEMBL281522 0.77 SCN9A (0.33) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL281527 0.77 SCN9A (0.47)
SCHEMBL14506547 0.76 ALDH1A1 (0.49) GHSRALDH1A1MAPTLMNAKMT2A
SCHEMBL281821 0.72 CDYL (0.41) ALDH1A1MAPTSMN1; SMN2
SCHEMBL281696 0.72 CDYL (0.39) ALDH1A1MAPTSMN1; SMN2PKM

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 GHSR 3523/4885ALDH1A1 1136/4885MAPT 1540/4885
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B GHSR 1614/4885ALDH1A1 1202/4885MAPT 109/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A GHSR 3276/4885ALDH1A1 838/4885MAPT 447/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A GHSR 3276/4885ALDH1A1 838/4885MAPT 447/4885

“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.