SCHEMBL557398

SCHEMBL557398

O=Cc1cccc(CN(CCC(=O)O)C(=O)CCCCCCCCCCCCCCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.47
KDM4C Q9H3R0 3/20 0.47
KDM5A P29375 1/20 0.47
PHF8 Q9UPP1 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
REN P00797 2/20 0.41
FFAR1 O14842 1/20 0.41
PKM P14618 1/20 0.40
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39
LTB4R Q15722 5/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL1363599 0.84 KDM4A (0.45) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL557852 0.84 KDM4A (0.45) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL558154 0.84 KDM4A (0.45) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL4959492 0.84 KDM4A (0.45) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL557397 0.80 KDM4A (0.47) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL7103281 0.78 SMN1; SMN2 (0.59) MAPTRXFP1FFAR1LTB4RHDAC3
SCHEMBL30688506 0.78 SMN1; SMN2 (0.59) MAPTRXFP1FFAR1LTB4RHDAC3
SCHEMBL20810486 0.74 ALOX5 (0.46) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL20810459 0.74 ALOX5 (0.49) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL34460422 0.73 HDAC1 (0.52) KDM4AKDM4CKDM5APHF8KDM2A

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 8 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

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 KDM4A 4160/4885KDM4C 3988/4885KDM5A 4211/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 KDM4A 4270/4885KDM4C 3953/4885KDM5A 4219/4885

“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.