SCHEMBL410265

SCHEMBL410265

CC(C)(C)C(OCc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.49
FOLH1 Q04609 1/20 0.49
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
MAOB P27338 1/20 0.47
GLA P06280 1/20 0.44
MRGPRX4 Q96LA9 6/20 0.44
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
LMNA P02545 1/20 0.41
VNN1 O95497 1/20 0.41
ALKBH1 Q13686 1/20 0.41
MEP1A Q16819 1/20 0.40
MEP1B Q16820 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
SCHEMBL403906 0.83 RAB9A (0.45) ADAMTS4MMP13MAOB
SCHEMBL7540932 0.80 SLC1A1 (0.51) MAOB
SCHEMBL7540938 0.80 SLC1A1 (0.51) MAOB
SCHEMBL23321020 0.80 HCAR2 (0.48) FFAR1FFAR4ADAMTS4MMP13MAOB
SCHEMBL408720 0.76 SLC7A5 (0.42) FOLH1MRGPRX4
SCHEMBL408721 0.76 SLC7A5 (0.42) FOLH1MRGPRX4
SCHEMBL800275 0.75 GLA (0.54) FFAR1FFAR4ADAMTS4MMP13MAOB
SCHEMBL13544211 0.75 FFAR1 (0.50) FFAR1FFAR4FOLH1MAOBGLA
SCHEMBL5089141 0.75 FFAR1 (0.48) FFAR1FFAR4FOLH1ADAMTS4MMP13
SCHEMBL7543579 0.74 SLC1A3 (0.59) ADAMTS4MMP13MAOB

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 FFAR1 2388/4885FFAR4 2598/4885FOLH1 3864/4885

“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.