SCHEMBL14709092

SCHEMBL14709092

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ KIF11 P52732 7/20 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
▸ GPR88 Q9GZN0 1/20 0.34
▸ GHSR Q92847 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 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 0.87 CA14 (0.41) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL45876 0.86 MEN1 (0.41) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL16141285 0.86 CA14 (0.45) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL14708941 0.84 CA14 (0.45) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL12917526 0.83 CA14 (0.39) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL16330568 0.81 HDAC3 (0.40) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL12917528 0.80 KIF11 (0.46) KIF11
SCHEMBL18291847 0.79 CA14 (0.36) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL17493273 0.78 CA14 (0.41) CA14L3MBTL1KIF11HDAC3HDAC1
SCHEMBL17080678 0.77 MGLL (0.46) CA14L3MBTL1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561287-B2 Carrier-linked treprostinil prodrugs ASCENDIS PHARMA A/S (DK) 2017-02-07 — — US disclosed
US-20140303245-A1 Sustained Release Composition of Prostacyclin ASCENDIS PHARMA A/S (DE) 2014-10-09 — — US disclosed
US-20140296150-A1 Carrier-Linked Treprostinil Prodrugs ASCENDIS PHARMA A/S (DK) 2014-10-02 — — US disclosed
WO-2013160340-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA A/S (DK) 2013-10-31 — — WO disclosed
WO-2013024051-A1 SUSTAINED RELEASE COMPOSITION OF PROSTACYCLIN ASCENDIS PHARMA A/S (DK) 2013-02-21 — — WO disclosed
WO-2013024052-A1 CARRIER-LINKED TREPROSTINIL PRODRUGS ASCENDIS PHARMA A/S (DK) 2013-02-21 — — 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-20140296150-A1 Carrier-Linked Treprostinil Prodrugs PAH, TK1, SLC16A1 CA14 1202/4885L3MBTL1 4254/4885KIF11 1524/4885
US-20140303245-A1 Sustained Release Composition of Prostacyclin PTGIR, PTGIS, PTGS1 CA14 3504/4885L3MBTL1 4827/4885KIF11 3742/4885

“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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