SCHEMBL403906

SCHEMBL403906

CC(C)(C)C(OCc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
MMP13 P45452 2/20 0.44
ADAMTS4 O75173 1/20 0.44
MAOB P27338 2/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
CTBP2 P56545 1/20 0.40
TSHR P16473 1/20 0.40
CYP2A6 P11509 1/20 0.40
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
ACE P12821 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL410265 0.83 FFAR1 (0.53) MMP13ADAMTS4MAOB
SCHEMBL7540932 0.81 SLC1A1 (0.51) MAOBL3MBTL1PPARAPPARD
SCHEMBL7540938 0.81 SLC1A1 (0.51) MAOBL3MBTL1PPARAPPARD
SCHEMBL8377688 0.80 MAOB (0.49) RAB9AMMP13ADAMTS4MAOBNPC1
SCHEMBL7290214 0.80 MAOB (0.49) RAB9AMMP13ADAMTS4MAOBNPC1
SCHEMBL23321191 0.80 MME (0.44) MAOBPPARA
SCHEMBL22769041 0.77 GAA (0.44) RAB9AMMP13SMN1; SMN2PPARAPPARD
SCHEMBL407488 0.76 RAB9A (0.38) RAB9ANPC1L3MBTL1
SCHEMBL407489 0.76 RAB9A (0.38) RAB9ANPC1L3MBTL1
SCHEMBL7543579 0.72 SLC1A3 (0.59) MMP13ADAMTS4MAOBCYP2A6PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAB9A 4195/4885MMP13 3671/4885ADAMTS4 2149/4885

“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.