SCHEMBL13223280

SCHEMBL13223280

C=CCCCC(=O)NCCNC(=O)C(O)C(CC=C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.43
▸ CTSK P43235 5/20 0.38
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ REN P00797 3/20 0.34
▸ CTSS P25774 3/20 0.33
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL19345927 0.90 CAPN1 (0.39) CAPN1CTSKCA1CA2CA7
SCHEMBL19346052 0.89 TDP1 (0.39) CAPN1CTSKCA1CA2CA7
SCHEMBL19345932 0.80 CA1 (0.42) CAPN1CTSKCA1CA2CA7
SCHEMBL13223285 0.80 REN (0.39) CTSKRENCTSSMAPTMEN1
SCHEMBL24072259 0.77 TDP1 (0.49) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL19345914 0.74 CA1 (0.46) CTSKCA1CA2CA7CTSS
SCHEMBL13223277 0.74 CA1 (0.46) CTSKCA1CA2CA7CTSS
SCHEMBL8051422 0.74 ALDH1A1 (0.43) CTSKCA1CA2CA7ALDH1A1
SCHEMBL29458939 0.73 CA1 (0.45) CTSKCA1CA2CA7CTSS
SCHEMBL7441196 0.71 CA1 (0.49) CTSKCA1CA2CA7CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CAPN1 3519/4885CTSK 1630/4885CA1 2516/4885

“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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