SCHEMBL45876

SCHEMBL45876

C[C@H](NC(=O)NCCN(CCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ KIF11 P52732 3/20 0.33
▸ EPHX2 P34913 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ GPR88 Q9GZN0 1/20 0.32
▸ GHSR Q92847 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
SCHEMBL18291881 0.88 CA14 (0.41) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL14709092 0.86 CA14 (0.38) KMT2ACA14L3MBTL1HDAC3HDAC1
SCHEMBL12917526 0.86 CA14 (0.39) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL14708941 0.83 CA14 (0.45) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16141285 0.83 CA14 (0.45) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16330568 0.80 HDAC3 (0.40) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL12917528 0.79 KIF11 (0.46) KIF11
SCHEMBL18291847 0.78 CA14 (0.36) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL17493273 0.77 CA14 (0.41) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL17080678 0.76 MGLL (0.46) CA14L3MBTL1ALDH1A1GHSR

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-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate ASCENDIS PHARMA A/S (DK) 2017-04-13 — — US disclosed
US-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2015-02-26 — — US disclosed
US-8906847-B2 Prodrug comprising a drug linker conjugate ASCENDIS PHARMA A/S (DK) 2014-12-09 — — US disclosed
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2011-03-03 — — 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 (3 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-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 MEN1 1323/4885TSHR 991/4885KMT2A 327/4885
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate H1-0, H1-3, H1-2 MEN1 1323/4885TSHR 991/4885KMT2A 327/4885
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 MEN1 1331/4885TSHR 997/4885KMT2A 327/4885

“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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