SCHEMBL408721

SCHEMBL408721

CC(C)(C)C(OCc1cccc(C(N)=NO)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
MRGPRX4 Q96LA9 6/20 0.39
KDM1A O60341 1/20 0.39
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 4/20 0.37
PPARA Q07869 3/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL408720 1.00 SLC7A5 (0.42) SLC7A5L3MBTL1MRGPRX4KDM1ARAB9A
SCHEMBL407489 0.85 RAB9A (0.38) L3MBTL1KDM1ARAB9ATP53
SCHEMBL407488 0.85 RAB9A (0.38) L3MBTL1KDM1ARAB9ATP53
SCHEMBL7540932 0.77 SLC1A1 (0.51) L3MBTL1TDP1ALDH1A1PPARGPPARA
SCHEMBL7540938 0.77 SLC1A1 (0.51) L3MBTL1TDP1ALDH1A1PPARGPPARA
SCHEMBL23321020 0.77 HCAR2 (0.48) MRGPRX4
SCHEMBL410265 0.76 FFAR1 (0.53) MRGPRX4FOLH1
SCHEMBL320799 0.75 F2 (0.39) SLC7A5L3MBTL1ALDH1A1FOLH1
SCHEMBL320798 0.75 F2 (0.39) SLC7A5L3MBTL1ALDH1A1FOLH1
SCHEMBL408725 0.74 KDM1A (0.43) L3MBTL1MRGPRX4KDM1ARAB9ATDP1

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 SLC7A5 2990/4885L3MBTL1 4637/4885MRGPRX4 1435/4885

“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.