SCHEMBL3654901

SCHEMBL3654901

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.39
▸ HTT P42858 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC8 Q9BY41 7/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CTSK P43235 5/20 0.34
▸ CTSS P25774 4/20 0.34
▸ HDAC1 Q13547 5/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL3735243 0.96 CAPN1 (0.40) CAPN1HTTHPGDSMN1; SMN2HDAC8
SCHEMBL3661274 0.88 HDAC8 (0.42) CAPN1HTTHPGDSMN1; SMN2HDAC8
SCHEMBL3661271 0.88 HDAC8 (0.42) CAPN1HTTHPGDSMN1; SMN2HDAC8
SCHEMBL20355987 0.85 CTSK (0.42) HTTCTSKCTSSHDAC1CYP1A2
SCHEMBL18226806 0.85 CTSS (0.40) CAPN1HTTSMN1; SMN2CTSKCTSS
SCHEMBL18226807 0.85 CTSS (0.40) CAPN1HTTSMN1; SMN2CTSKCTSS
SCHEMBL13265369 0.82 CYP1A2 (0.40) HTTSMN1; SMN2BCHEACHECTSK
SCHEMBL3749003 0.82 CYP1A2 (0.40) HTTSMN1; SMN2BCHEACHECTSK
SCHEMBL22688030 0.82 HPGD (0.36) CAPN1HTTHPGDSMN1; SMN2BCHE
SCHEMBL28695039 0.82 HPGD (0.36) CAPN1HTTHPGDSMN1; SMN2BCHE

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 CAPN1 3586/4885HTT 1328/4885HPGD 774/4885

“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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