SCHEMBL18622732

SCHEMBL18622732

CC[C@@H](O)C(=O)NCCSSCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.38
▸ DNPEP Q9ULA0 2/20 0.38
▸ USP2 O75604 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LAP3 P28838 2/20 0.32
▸ RNPEP Q9H4A4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14752403 1.00 ANPEP (0.38) ANPEPDNPEPUSP2TSHRHDAC3
SCHEMBL14752392 0.80 ANPEP (0.40) ANPEPDNPEPUSP2TSHRHDAC3
SCHEMBL18629934 0.79 ANPEP (0.44) ANPEPDNPEPUSP2TSHRHDAC3
SCHEMBL14752398 0.78 ANPEP (0.36) ANPEPDNPEPUSP2TSHRHDAC3
SCHEMBL14752402 0.77 TSHR (0.54) ANPEPDNPEPTSHRHDAC3HDAC4
SCHEMBL13451403 0.77 ALDH1A1 (0.52) USP2TSHRHDAC3HDAC4HDAC1
SCHEMBL14752411 0.75 CASP2 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18629896 0.74 ANPEP (0.40) ANPEPDNPEPUSP2HDAC3HDAC4
SCHEMBL3332159 0.74 MEN1 (0.55) ANPEPDNPEPUSP2TSHRHDAC3
SCHEMBL18629960 0.74 HDAC3 (0.39) USP2TSHRHDAC3HDAC4HDAC1

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-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. 2017-03-16 — — 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-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 ANPEP 1564/4885DNPEP 695/4885USP2 1339/4885

“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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