SCHEMBL9978090

SCHEMBL9978090

O=C(O)CCC(=O)NCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.44
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
KIF11 P52732 4/20 0.41
TRPV1 Q8NER1 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
SCHEMBL99144 0.92 HDAC6 (0.50) LMNATSHRHDAC6HDAC3HDAC4
SCHEMBL6909931 0.91 L3MBTL1 (0.46) LMNATSHRL3MBTL1HDAC6HDAC3
SCHEMBL11885305 0.89 KIF11 (0.45) LMNATSHRL3MBTL1ATMALDH1A1
SCHEMBL23299715 0.88 LMNA (0.52) LMNATSHRL3MBTL1ATMHDAC6
SCHEMBL2806972 0.84 L3MBTL1 (0.43) LMNATSHRL3MBTL1HDAC6HDAC3
SCHEMBL6907826 0.83 HPGD (0.41) LMNATSHRHDAC6HPGDKIF11
SCHEMBL3158110 0.83 HDAC3 (0.46) L3MBTL1HDAC6HDAC3HDAC4HDAC1
SCHEMBL12917527 0.83 KIF11 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL16330567 0.83 EPHX2 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18670133 0.82 KIF11 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7

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
US-9173953-B2 Prodrugs containing an aromatic amine connected by an amido bond to a linker ASCENDIS PHARMA AS (DK) 2015-11-03 US disclosed
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS ASCENDIS PHARMA A/S (DK) 2012-07-26 US disclosed
US-20120156260-A1 Prodrugs Containing an Aromatic Amine Connected By an Amido Bond to a Linker ASCENDIS PHARMA A/S (DK) 2012-06-21 US disclosed
WO-2011012721-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS ASCENDIS PHARMA AS (DK) 2011-02-03 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 (2 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-20120156260-A1 Prodrugs Containing an Aromatic Amine Connected By an Amido Bond to a Linker DAO, DNPEP, DDC LMNA 759/4885TSHR 2404/4885L3MBTL1 880/4885
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS PRAP1, LPXN, DNPEP LMNA 1878/4885TSHR 3721/4885L3MBTL1 3268/4885

“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.