SCHEMBL3661064

SCHEMBL3661064

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.51
▸ CTSS P25774 15/20 0.44
▸ CTSK P43235 14/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ ACE P12821 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL29215277 0.85 CAPN1 (0.52) CAPN1CTSSCTSKACEMEN1
SCHEMBL29215275 0.85 CAPN1 (0.52) CAPN1CTSSCTSKACEMEN1
SCHEMBL607528 0.84 CAPN1 (0.53) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL10191368 0.84 CAPN1 (0.53) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL25270770 0.83 CAPN1 (0.49) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL25229415 0.83 CAPN1 (0.49) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL25277223 0.81 CAPN1 (0.50) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL16118847 0.81 CAPN1 (0.50) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL3661740 0.81 CAPN1 (0.51) CAPN1CTSSCTSKMEN1GAA
SCHEMBL3661736 0.81 CAPN1 (0.51) CAPN1CTSSCTSKMEN1GAA

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 3586/4885CTSS 4077/4885CTSK 3324/4885

“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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