SCHEMBL1706448

SCHEMBL1706448

CC(F)(F)CCCCc1nc(C(=O)O)co1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.39
DAGLA Q9Y4D2 6/20 0.36
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC1 Q13547 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
MME P08473 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL2682469 0.87 ALDH1A1 (0.36) DAGLAHDAC2HDAC8
SCHEMBL1706800 0.87 DAGLA (0.33) DAGLAHDAC2HDAC8
SCHEMBL1706339 0.85 DAGLA (0.43) CES1DAGLAHDAC2HDAC8HDAC1
SCHEMBL30323015 0.80 CES1 (0.37) CES1DAGLA
SCHEMBL15931723 0.79 HCAR2 (0.45) CES1MMEHCAR3HCAR2
SCHEMBL1705863 0.78 CES1 (0.47) CES1DAGLA
SCHEMBL2682471 0.76
SCHEMBL16011738 0.75 CES1 (0.39) CES1DAGLAMME
SCHEMBL18782175 0.75 HCAR2 (0.42) CES1MMEHCAR3HCAR2
SCHEMBL12471161 0.73 CES1 (0.35) CES1DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US disclosed
EP-2440536-B1 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 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-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 CES1 1393/4885DAGLA 3893/4885HDAC2 2850/4885

“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.