SCHEMBL2336724

SCHEMBL2336724

COC(=O)Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
GPR119 Q8TDV5 8/20 0.46
DNMT3A Q9Y6K1 1/20 0.44
BRD3 Q15059 2/20 0.44
IDO1 P14902 1/20 0.44
KDM1A O60341 1/20 0.42

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
SCHEMBL2334044 0.91 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL2339351 0.88 IKBKB (0.40)
SCHEMBL15006655 0.87 PTGDR2 (0.49) GPR119DNMT3ABRD3
SCHEMBL2331889 0.84 EPHX2 (0.40)
SCHEMBL2333744 0.82 L3MBTL1 (0.49)
SCHEMBL2334359 0.81 SLC6A2 (0.41) IDO1
SCHEMBL2336150 0.78 PTGDR2 (0.48)
SCHEMBL20576250 0.77 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL15006641 0.76 GPR119 (0.46) GPR119DNMT3ABRD3
SCHEMBL23360225 0.76 IDO1 (0.53) PDE4DPDE4BPDE4APDE4CGPR119

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
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2358677-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-24 EP disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100125061-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 PDE4D 1042/4885PDE4B 952/4885PDE4A 630/4885

“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.