SCHEMBL4682811

SCHEMBL4682811

CCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
NCOR2 Q9Y618 4/20 0.38
TRPV3 Q8NET8 3/20 0.37
PTGS2 P35354 2/20 0.37
RAD51 Q06609 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL4100533 0.90 TLR8 (0.49) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL5016834 0.89 CTSS (0.39) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL4679427 0.86 TLR8 (0.41) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL6287159 0.84 HDAC3 (0.41) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL5023766 0.83 KCNJ6 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14445954 0.83 GCGR (0.42) ADORA3KDM2BKDM4CALDH1A1
SCHEMBL4685144 0.83 TLR8 (0.42) TLR8CTSSCTSKTRPV3PTGS2
SCHEMBL4682071 0.79 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4106505 0.78 TLR8 (0.50) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL4683641 0.77 NPBWR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA TLR8 1797/4885CTSS 1043/4885CTSK 1134/4885

“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.