SCHEMBL3735243

SCHEMBL3735243

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)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.40
▸ CTSS P25774 11/20 0.36
▸ CTSK P43235 9/20 0.36
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC4 P56524 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
SCHEMBL3654901 0.96 CAPN1 (0.39) CAPN1CTSSCTSKBCHEACHE
SCHEMBL3661274 0.85 HDAC8 (0.42) CAPN1BCHEACHEHDAC8HPGD
SCHEMBL3661271 0.85 HDAC8 (0.42) CAPN1BCHEACHEHDAC8HPGD
SCHEMBL20355987 0.82 CTSK (0.42) CTSSCTSKHTTHDAC1HDAC4
SCHEMBL18226807 0.81 CTSS (0.40) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL18226806 0.81 CTSS (0.40) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL3661064 0.81 CAPN1 (0.51) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL13265369 0.79 CYP1A2 (0.40) CTSSCTSKBCHEACHEHTT
SCHEMBL3749003 0.79 CYP1A2 (0.40) CTSSCTSKBCHEACHEHTT
SCHEMBL22688030 0.79 HPGD (0.36) CAPN1CTSSCTSKBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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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