SCHEMBL557475

SCHEMBL557475

COC(=O)CCCCCCCCCCSc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.49
PLA2G4A P47712 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
PLA2G2A P14555 1/20 0.47
PLK1 P53350 4/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GBA1 P04062 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
SCHEMBL558414 1.00 PLA2G4B (0.49) PLA2G4BPLA2G4AHDAC1HDAC2HDAC3
SCHEMBL2820874 0.93 PLA2G4B (0.45) PLA2G4BPLA2G4AHDAC1HDAC2HDAC3
SCHEMBL2820872 0.89 PLA2G4B (0.42) PLA2G4BPLA2G4AHDAC1HDAC2HDAC3
SCHEMBL10498875 0.88 MAPT (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10498140 0.88 MAPT (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17045913 0.87 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12685572 0.86 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20545180 0.86 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17052734 0.86 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20545013 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7

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 PLA2G4B 1170/4885PLA2G4A 2202/4885HDAC1 1440/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 PLA2G4B 1242/4885PLA2G4A 2205/4885HDAC1 1252/4885

“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.