SCHEMBL408936

SCHEMBL408936

COCc1cc(C(=O)OC)ccc1-c1cc(F)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TNF P01375 1/20 0.42
GAA P10253 1/20 0.42
NR2F2 P24468 1/20 0.42
MCL1 Q07820 1/20 0.42
KLF5 Q13887 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MAPK14 Q16539 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PARP1 P09874 1/20 0.41
NOTUM Q6P988 1/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL409658 0.88 MRGPRX4 (0.43) HTTLMNAGAAMAPK14ALDH1A1
SCHEMBL319975 0.83 S1PR1 (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL407699 0.79 NPC1 (0.47) MAPTKDM4EHTTKMT2ALMNA
SCHEMBL406509 0.79 IL2 (0.43) MAPTHTTKMT2ALMNASMN1; SMN2
SCHEMBL18216620 0.76 CA12 (0.47) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL410064 0.76 PDK2 (0.45) MAPTHTTLMNAHPGDSMN1; SMN2
SCHEMBL410318 0.75 PDK2 (0.43) MAPTMEN1HTTKMT2ALMNA
SCHEMBL2773898 0.75 PDK2 (0.44) MAPTMEN1KMT2ALMNAGAA
SCHEMBL19320904 0.75 MAOB (0.46) KDM4EMEN1HTTKMT2ALMNA
SCHEMBL24502981 0.75 CA12 (0.47) MAPTKDM4EMEN1HTTKMT2A

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
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MAPT 2597/4885KDM4E 1908/4885MEN1 1228/4885

“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.