SCHEMBL1706329

SCHEMBL1706329

CC(=O)CCCCc1nc(N(C(=O)OC(C)(C)C)C(=O)c2ncsc2-c2cccc(F)c2)co1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
THPO P40225 1/20 0.39
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
FFAR1 O14842 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL27899581 0.84 FPR2 (0.42) FPR2CYP1A2CYP3A4THPOLMNA
SCHEMBL1706057 0.79 FPR2 (0.41) FPR2HDAC1HDAC8
SCHEMBL1706731 0.78 FPR2 (0.40) FPR2HDAC1HDAC8
SCHEMBL1705849 0.78 FPR2 (0.56) FPR2CYP1A2CYP3A4THPOLMNA
SCHEMBL27899578 0.77 FPR2 (0.41) FPR2CYP1A2CYP3A4THPOLMNA
SCHEMBL1706196 0.76 FPR2 (0.42) FPR2
SCHEMBL1706886 0.75 FPR2 (0.39) FPR2CYP3A4LMNAPMP22HDAC1
SCHEMBL27899577 0.64 FPR2 (0.38) FPR2HDAC1HDAC8
SCHEMBL1338395 0.63 CYP1A2 (0.61) FPR2CYP1A2CYP3A4THPOLMNA
SCHEMBL9586449 0.62 CYP1A2 (0.58) FPR2CYP1A2CYP3A4THPOLMNA

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 FPR2 156/4885CYP1A2 413/4885CYP3A4 602/4885

“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.