SCHEMBL4950063

SCHEMBL4950063

CC(C)(C)OC(=O)NC(=O)CCCCCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.61
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.46
TBXA2R P21731 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL24762017 0.86 ALDH1A1 (0.60) ALDH1A1TSHRPKMGAA
SCHEMBL17680506 0.82 ALDH1A1 (0.55) ALDH1A1TSHRGAA
SCHEMBL4948715 0.82 ALDH1A1 (0.56) ALDH1A1TSHRLMNAPKMGAA
SCHEMBL19450350 0.81 GAA (0.54) ALDH1A1LMNAPKMGAATBXA2R
SCHEMBL4942519 0.80 ALDH1A1 (0.56) ALDH1A1TSHRPKMGAAHTT
SCHEMBL5308838 0.79 CA1 (0.50) ALDH1A1GAARAB9A
SCHEMBL15797966 0.78 ALDH1A1 (0.65) ALDH1A1TSHRLMNAPKMGAA
SCHEMBL19450347 0.78 SIGMAR1 (0.50) ALDH1A1GAARAB9A
SCHEMBL7395957 0.77 ALDH1A1 (0.50) ALDH1A1TSHRPKMGAARAB9A
SCHEMBL4942525 0.77 ALDH1A1 (0.55) ALDH1A1TSHRPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921062-A2 Amino acid derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2008-05-14 EP disclosed
EP-1458378-B1 AMINO ACID DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2006-05-24 EP disclosed
US-20060079550-A1 Amino acid derivatives useful for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-04-13 US disclosed
US-6455587-B1 AROMATIC SULFONYL DERIVATIVES PHARMACOR INC. (CA) 2002-09-24 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 (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-20060079550-A1 Amino acid derivatives useful for the treatment of alzheimer's disease BACE1, APP, PSEN1 ALDH1A1 2554/4885TSHR 3263/4885LMNA 2067/4885

“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.