SCHEMBL536675

SCHEMBL536675

CCc1ccccc1-c1ccc(C(=O)OC)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
PDK2 Q15119 3/20 0.51
P4HB P07237 1/20 0.44
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
KIF11 P52732 3/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
EGFR P00533 1/20 0.40
RBP4 P02753 1/20 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
SCHEMBL10907300 0.86 NOTUM (0.66) NOTUMPDK2P4HBMRGPRX4HSD17B10
SCHEMBL410339 0.85 AKR1C3 (0.47) PDK2AKR1C3AKR1C2MRGPRX4KDM4E
SCHEMBL320542 0.84 NOTUM (0.54) NOTUMPDK2P4HBAKR1C3AKR1C2
SCHEMBL10035257 0.82 NOTUM (0.52) NOTUMPDK2P4HBKIF11AKR1C3
SCHEMBL536245 0.82 TRPA1 (0.49) NOTUMPDK2P4HBKIF11AKR1C3
SCHEMBL410169 0.82 CA12 (0.56) PDK2KIF11HSD17B10LMNAL3MBTL1
SCHEMBL3902837 0.82 NOTUM (0.60) NOTUMPDK2P4HBMRGPRX4HSD17B10
SCHEMBL3903631 0.81 EGFR (0.57) NOTUMPDK2P4HBAKR1C3AKR1C2
SCHEMBL536257 0.80 NOTUM (0.55) NOTUMPDK2P4HBAKR1C3AKR1C2
SCHEMBL410064 0.80 PDK2 (0.45) PDK2KIF11MAPK1HSD17B10LMNA

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-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB NOTUM 3234/4885PDK2 404/4885P4HB 1502/4885

“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.