SCHEMBL1744957

SCHEMBL1744957

CC(C)(C)OC(=O)c1ccc(OCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
PTPN1 P18031 1/20 0.41
PPARA Q07869 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL557681 0.91 HDAC1 (0.44) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL26091795 0.87 ITGB3 (0.46) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL26091800 0.87 ITGB3 (0.46) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL26091793 0.87 ITGB3 (0.46) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL4087824 0.84 ITGB3 (0.38) ITGB3ITGA2BHDAC8PARP12
SCHEMBL30930695 0.83 ITGB3 (0.53) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL29261147 0.82 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL29261148 0.82 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL29261151 0.82 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC2HDAC3
SCHEMBL2927304 0.82 CNR2 (0.39) ITGB3ITGA2BHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386572-B1 Insulin derivative NOVO NORDISK AS (DK) 2015-07-08 EP disclosed
US-8933021-B2 Insulin derivative NOVO NORDISK A/S (DK) 2015-01-13 US disclosed
EP-2386572-A1 Insulin derivative Novo Nordisk A/S (DK) 2011-11-16 EP disclosed
US-8039101-B2 Radio-opaque dental prosthetic member Societe de Recherches Techniques Dentaires-R.T.D. (FR) 2011-10-18 US disclosed
US-20090239785-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-09-24 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-20090239785-A1 Insulin Derivative IAPP, INSR, GPR119 ITGB3 4146/4885ITGA2B 4474/4885HDAC1 3452/4885

“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.