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SCHEMBL558135

SCHEMBL558135

CC(C)(C)OC(=O)CC[C@H](NC(=O)CCCCCCCCCCSc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ SDCBP O00560 1/20 0.32
▸ SDC2 P34741 1/20 0.32
▸ TLR2 O60603 4/20 0.31
▸ TLR1 Q15399 4/20 0.31
▸ P2RY12 Q9H244 4/20 0.31

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
SCHEMBL4186571 0.87 KMT2A (0.37) KMT2AHTR1AHTR7HDAC8HDAC1
SCHEMBL4190503 0.87 KMT2A (0.37) KMT2AHTR1AHTR7HDAC8HDAC1
SCHEMBL4405360 0.82 SLC7A5 (0.38) KMT2AHTR1AHTR7HDAC1HDAC6
SCHEMBL557854 0.82 ITGB3 (0.36) KMT2AHDAC8
SCHEMBL557969 0.82 ITGB3 (0.36) KMT2AHDAC8
SCHEMBL10099812 0.82 ITGB3 (0.36) KMT2AHDAC8
SCHEMBL1891686 0.81 KMT2A (0.44) KMT2AHDAC8POLBP2RY12
SCHEMBL20897217 0.81 KMT2A (0.44) KMT2AHDAC8POLBP2RY12
SCHEMBL337185 0.81 KMT2A (0.46) KMT2APOLBP2RY12
SCHEMBL1890268 0.81 KMT2A (0.44) KMT2AHDAC8POLBP2RY12

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 KMT2A 3918/4885HTR1A 3864/4885HTR7 2753/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 KMT2A 4065/4885HTR1A 4178/4885HTR7 2732/4885

“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.