SCHEMBL557651

SCHEMBL557651

CCOC(=O)c1cc(OCCCCCCCCCCCCCCC(=O)OC(C)(C)C)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.51
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G4B P0C869 6/20 0.40
HDAC8 Q9BY41 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
PLA2G4A P47712 1/20 0.38
MEN1 O00255 1/20 0.38
SLC22A2 O15244 1/20 0.38
TMPRSS2 O15393 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F12 P00748 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL557650 0.83 HDAC8 (0.44) PLA2G2ACYP2C9CYP2C19HDAC8CYP1A2
SCHEMBL5561218 0.82 PLA2G2A (0.75) PLA2G2APLA2G4BTP53TSHRPLA2G4A
SCHEMBL6881775 0.81 PLA2G2A (0.60) PLA2G2AHTTCYP2C9CYP2C19PLA2G4B
SCHEMBL4727671 0.80 PLA2G2A (0.54) PLA2G2AHTTCYP2C9CYP2C19PLA2G4B
SCHEMBL2771704 0.80 PLA2G2A (0.65) PLA2G2ACYP2C9CYP2C19PLA2G4BTP53
SCHEMBL5779178 0.79 CA12 (0.47) PLA2G2ACYP2C9CYP2C19TSHRCA12
SCHEMBL2921102 0.78 PDE3B (0.41) PLA2G2AHDAC8
SCHEMBL2925424 0.77 PLA2G2A (0.47) PLA2G2APLA2G4B
SCHEMBL5491044 0.77 PLA2G2A (0.64) PLA2G2APLA2G4BTP53TSHRCA12
SCHEMBL3176831 0.77 CYP2C9 (0.58) PLA2G2ACYP2C9CYP2C19PLA2G4BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46170-E1 Insulin derivatives NOVO NORDISK A/S (DK) 2016-10-04 US disclosed
EP-2256130-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2013-09-25 EP disclosed
US-8476228-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2013-07-02 US disclosed
EP-1846446-B1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2013-06-26 EP disclosed
US-20120035104-A1 Insulin derivatives NOVO NORDISK A/S (DK) 2012-02-09 US disclosed
US-8067362-B2 Antidiabetic agents; genetic engineered polypeptide; having a side chain attached alpha -amino group of the N-terminal amino acid of the B chain via an amide bond, with free carboxylic acid group, a fatty acid; soluble at physiological pH, prolonged profile of action; hypoglycemic agents NOVO NORDISK AS (DK) 2011-11-29 US disclosed
EP-2256130-A1 Novel insulin derivatives Novo Nordisk A/S (DK) 2010-12-01 EP disclosed
US-20080076705-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2008-03-27 US disclosed
EP-1846446-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2007-10-24 EP disclosed
WO-2006082204-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2006-08-10 WO 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 (2 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-20120035104-A1 Insulin derivatives IAPP, INSR, GPR119 PLA2G2A 2377/4885HTT 2608/4885CYP2C9 4333/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 PLA2G2A 2219/4885HTT 2576/4885CYP2C9 4207/4885

“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.