SCHEMBL3661736

SCHEMBL3661736

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.51
NOD1 Q9Y239 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
GLP1R P43220 8/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
ALB P02768 2/20 0.43
EPHX2 P34913 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL3661740 1.00 CAPN1 (0.51) CAPN1NOD1MEN1GAAKMT2A
SCHEMBL20122339 0.93 MEN1 (0.55) CAPN1NOD1MEN1GAAKMT2A
SCHEMBL29890582 0.91 NOD1 (0.58) CAPN1NOD1GLP1RCTSKCTSS
SCHEMBL5279118 0.90 CTSK (0.50) CAPN1NOD1MEN1GAAKMT2A
SCHEMBL2074961 0.90 CTSK (0.50) CAPN1NOD1MEN1GAAKMT2A
SCHEMBL20122340 0.88 CAPN1 (0.57) CAPN1NOD1MEN1GAAKMT2A
SCHEMBL31407837 0.86 MEN1 (0.56) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL13416984 0.85 CAPN1 (0.47) CAPN1NOD1MEN1GAAKMT2A
SCHEMBL29796128 0.85 CAPN1 (0.50) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL31601080 0.85 MEN1 (0.57) CAPN1NOD1MEN1GAAKMT2A

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 3586/4885NOD1 1981/4885MEN1 690/4885

“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.