SCHEMBL9978229

SCHEMBL9978229

CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)NCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL13753391 0.80 KIF11 (0.43) KIF11HPGD
SCHEMBL12917526 0.77 CA14 (0.39) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL18291881 0.77 CA14 (0.41) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL16330568 0.76 HDAC3 (0.40) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL14708941 0.76 CA14 (0.45) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL16141285 0.76 CA14 (0.45) KIF11HDAC3HDAC1HDAC2NCOR2
SCHEMBL17502351 0.76 KIF11 (0.41) KIF11LMNA
SCHEMBL3732519 0.76 EPHX2 (0.44) HDAC1HDAC2CA14
SCHEMBL16647700 0.75 CYP3A4 (0.48) HDAC3HDAC1HDAC2NCOR2NPSR1
SCHEMBL12917528 0.75 KIF11 (0.46) KIF11

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 5 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-2011012723-A1 INJECTABLE SUSTAINED RELEASE COMPOSITIONS COMPRISING A PRAMIPEXOLE PRODRUG ASCENDIS PHARMA AS (DK) 2011-02-03 — — WO 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 KIF11 1882/4885HPGD 1284/4885HDAC3 869/4885
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS PRAP1, LPXN, DNPEP KIF11 910/4885HPGD 805/4885HDAC3 992/4885

“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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