SCHEMBL2818682

SCHEMBL2818682

O=C(O)CCCc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.56
NPC1 O15118 1/20 0.49
FFAR1 O14842 5/20 0.48
FFAR4 Q5NUL3 2/20 0.48
F13A1 P00488 3/20 0.44
MTNR1B P49286 1/20 0.44
AKR1B1 P15121 4/20 0.43
AKR1A1 P14550 1/20 0.43
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2130941 0.91 PDPK1 (0.61) PDPK1NPC1FFAR1FFAR4
SCHEMBL30437759 0.91 PDPK1 (0.61) PDPK1NPC1FFAR1FFAR4
SCHEMBL19584858 0.88 NPC1 (0.45) PDPK1NPC1FFAR1FFAR4F13A1
SCHEMBL15270886 0.84 POLB (0.49) PDPK1NPC1F13A1KDM4ETDP1
SCHEMBL6956901 0.82 FFAR1 (0.50) FFAR1FFAR4F13A1
SCHEMBL28629668 0.81 F13A1 (0.46) FFAR4F13A1KDM4ETDP1
SCHEMBL8828 0.80 CA2 (0.54) PDPK1NPC1MTNR1BAKR1B1AKR1A1
SCHEMBL29574729 0.80 AKR1B1 (0.52) PDPK1AKR1B1AKR1A1DGAT1
SCHEMBL5835 0.80 AKR1B1 (0.52) PDPK1AKR1B1AKR1A1DGAT1
SCHEMBL3883372 0.79 PDPK1 (0.56) PDPK1NPC1FFAR1FFAR4MTNR1B

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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 PDPK1 3597/4885NPC1 618/4885FFAR1 465/4885
US-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 PDPK1 1142/4885NPC1 1075/4885FFAR1 763/4885

“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.