SCHEMBL13401853

SCHEMBL13401853

CC(C)CC(NC(=O)CN)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CTSC P53634 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ GLO1 Q04760 1/20 0.41
▸ CTSL P07711 3/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ CAPN1 P07384 3/20 0.39
▸ CAPN9 O14815 1/20 0.39

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
SCHEMBL29351243 1.00 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL29789591 0.97 CTSC (0.43) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL29364551 0.95 CTSC (0.42) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL31111445 0.92 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL29692448 0.92 REN (0.39) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL29634121 0.91 CTSC (0.41) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL31589113 0.89 FOLH1 (0.46) CTSCPTGS1GSTK1GLO1
SCHEMBL11127918 0.88 ALDH1A1 (0.49) ALDH1A1MAPTLMNACTSCCTSB
SCHEMBL5176246 0.87 CTSC (0.38) ALDH1A1MAPTCTSCCTSLCTSB
SCHEMBL30170441 0.87 GLO1 (0.44) CTSCPTGS1GSTK1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093867-A1 Method Of Treating Genetic Disease Caused By Nonsense Mutation THE UNIVERSITY OF TOKYO (JP) 2010-04-15 — — US disclosed
US-20100093867-A1 Method Of Treating Genetic Disease Caused By Nonsense Mutation THE UNIVERSITY OF TOKYO (JP) 2010-04-15 — — US disclosed
EP-2047848-A1 METHOD OF TREATING GENETIC DISEASE CAUSED BY NONSENSE MUTATION The University of Tokyo (JP) 2009-04-15 — — EP 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-20100093867-A1 Method Of Treating Genetic Disease Caused By Nonsense Mutation UPF1, CLN6, PRPF6 ALDH1A1 4267/4885MAPT 4043/4885LMNA 214/4885

“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.

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