SCHEMBL558018

SCHEMBL558018

O=Cc1ccc(OCCCCCCCCCCCCCCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALB P02768 1/20 0.48
PTPN11 Q06124 5/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
S1PR3 Q99500 1/20 0.46
PPARA Q07869 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL8847322 0.93 CYP2C9 (0.61) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL8846892 0.93 CYP2C9 (0.61) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL8847014 0.93 CYP2C9 (0.61) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL8847017 0.93 CYP2C9 (0.61) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL8846902 0.91 CYP2C9 (0.63) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL8846763 0.88 CYP2C9 (0.67) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL8846848 0.87 CYP2C9 (0.60) CYP2C9NPC1RAB9ANPSR1PTPN11
SCHEMBL20211804 0.84 RAB9A (0.50) CYP2C9NPC1RAB9ANPSR1ALB
SCHEMBL2554389 0.83 RAB9A (0.51) CYP2C9NPC1RAB9ANPSR1ALB
SCHEMBL3568653 0.81 CYP2C9 (0.59) CYP2C9NPC1RAB9ANPSR1PTPN11

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 CYP2C9 4333/4885NPC1 2980/4885RAB9A 3870/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 CYP2C9 4207/4885NPC1 3074/4885RAB9A 3924/4885

“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.