SCHEMBL2809182

SCHEMBL2809182

CCCCCCCCCCC(NC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
FFAR1 O14842 2/20 0.55
NOD1 Q9Y239 3/20 0.54
MAPT P10636 1/20 0.53
LCK P06239 1/20 0.53
PPARD Q03181 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
ACE2 Q9BYF1 1/20 0.50
SLC6A5 Q9Y345 1/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ZDHHC7 Q9NXF8 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
SCHEMBL20366017 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
SCHEMBL7182087 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
SCHEMBL5135063 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
SCHEMBL10352539 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
SCHEMBL20447803 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
SCHEMBL25208251 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
SCHEMBL3896154 1.00 GPR84 (0.55) GPR84FFAR1NOD1MAPTLCK
Hydrochloric Acid SCHEMBL15799584 0.98 GPR84 (0.53) GPR84FFAR1NOD1MAPTLCK
SCHEMBL21102191 0.98 GPR84 (0.52) GPR84FFAR1NOD1MAPTLCK
SCHEMBL15451410 0.98 GPR84 (0.52) GPR84FFAR1NOD1MAPTLCK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
CN-101663284-A Macrocyclic compounds as hcv ns3 protease inhibitors NOVARTIS AG 2010-03-03 CN disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20030100685-A1 Polyamide formulations for embossed laminates FARKAS NICHOLAS AKOS (CA) 2003-05-29 US disclosed
EP-0866736-B1 COATING OF UN-PRIMED METALS WITH POLYAMIDE POWDER COATING COMPOSITIONS DU PONT CANADA (CA) 1999-09-08 EP disclosed
EP-0866736-A1 COATING OF UN-PRIMED METALS WITH POLYAMIDE POWDER COATING COMPOSITIONS DUPONT CANADA INC. (CA) 1998-09-30 EP disclosed
WO-1997035910-A1 POLYAMIDE FORMULATIONS FOR EMBOSSED LAMINATES DUPONT CANADA INC. (CA) 1997-10-02 WO disclosed
WO-1997021496-A1 COATING OF UN-PRIMED METALS WITH POLYAMIDE POWDER COATING COMPOSITIONS DUPONT CANADA INC. (CA) 1997-06-19 WO disclosed
EP-0733079-A1 POLYAMIDES AND HEAT-SEALABLE FILMS FORMED THEREFROM DUPONT CANADA INC. (CA) 1996-09-25 EP disclosed
WO-1995015992-A1 POLYAMIDES AND HEAT-SEALABLE FILMS FORMED THEREFROM DUPONT CANADA INC. (CA) 1995-06-15 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 (1 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 GPR84 2324/4885FFAR1 3681/4885NOD1 579/4885

“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.