SCHEMBL5118034

SCHEMBL5118034

CN1C(=O)C(=O)c2cc(I)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 1.00
CASP1 P29466 1/20 0.56
CASP4 P49662 1/20 0.56
CASP7 P55210 1/20 0.56
CASP9 P55211 1/20 0.56
CASP6 P55212 1/20 0.56
TTR P02766 1/20 0.55
CES1 P23141 1/20 0.55
CTRC Q99895 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.40

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
SCHEMBL29403414 0.78 CASP3 (0.65) CASP3CASP1CASP4CASP7CASP9
SCHEMBL9029012 0.78 CASP3 (0.65) CASP3CASP1CASP4CASP7CASP9
SCHEMBL5114613 0.78 CASP3 (0.63) CASP3CES1CTRCMEN1ALDH1A1
SCHEMBL28588483 0.78 CASP3 (0.63) CASP3CASP1CASP4CASP7CASP9
SCHEMBL16237987 0.77 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL31419918 0.77 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL8296661 0.77 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL30704879 0.77 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL3005504 0.77 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL30704873 0.77 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN claimed
CN-109384769-A A kind of synthetic method of R configuration 3- substitution -3- hydroxyl oxidized indole compounds 陕西师范大学 2019-02-26 CN claimed
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN disclosed
CN-109384769-A A kind of synthetic method of R configuration 3- substitution -3- hydroxyl oxidized indole compounds 陕西师范大学 2019-02-26 CN disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 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 (1 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CASP3 2895/4885CASP1 2259/4885CASP4 3523/4885

“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.