SCHEMBL3661271

SCHEMBL3661271

CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ KLK7 P49862 2/20 0.41
▸ KLK5 Q9Y337 2/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36

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
SCHEMBL3661274 1.00 HDAC8 (0.42) HDAC8HDAC1KLK7KLK5CAPN1
SCHEMBL3654901 0.88 CAPN1 (0.39) HDAC8HDAC1CAPN1BCHEACHE
SCHEMBL20355987 0.88 CTSK (0.42) HDAC1KLK7KLK5TDP1MEN1
SCHEMBL3754005 0.87 TDP1 (0.48) KLK7KLK5TDP1MEN1KMT2A
SCHEMBL9931542 0.87 TDP1 (0.48) KLK7KLK5TDP1MEN1KMT2A
SCHEMBL29400712 0.87 TDP1 (0.48) KLK7KLK5TDP1MEN1KMT2A
SCHEMBL1739335 0.86 EPHX2 (0.38) HDAC8HDAC1TDP1MEN1KMT2A
SCHEMBL2838292 0.86 EPHX2 (0.38) HDAC8HDAC1TDP1MEN1KMT2A
SCHEMBL3735243 0.85 CAPN1 (0.40) HDAC8HDAC1CAPN1BCHEACHE
SCHEMBL22402814 0.85 NPSR1 (0.47) HDAC8HDAC1TDP1MEN1KMT2A

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
EP-2217621-B1 INSULIN DERIVATIVE NOVO NORDISK AS (DK) 2015-04-22 — — EP disclosed
US-8710000-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-04-29 — — US disclosed
US-20100279931-A1 Insulin Derivative NOVO NORDISK A/S 2010-11-04 — — US disclosed
EP-2217621-A1 INSULIN DERIVATIVE Novo Nordisk A/S (DK) 2010-08-18 — — EP disclosed
WO-2009060071-A1 INSULIN DERIVATIVE NOVO NORDISK A/S (DK) 2009-05-14 — — WO disclosed
EP-2058330-A1 Insulin derivative NOVO NORDISK A/S (DK) 2009-05-13 — — EP 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-20100279931-A1 Insulin Derivative IAPP, INSR, GPR119 HDAC8 3105/4885HDAC1 3738/4885KLK7 464/4885

“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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