SCHEMBL320483

SCHEMBL320483

CN(Cc1cccc(C#N)c1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.48
MEP1A Q16819 1/20 0.48
MEP1B Q16820 1/20 0.48
MAOB P27338 1/20 0.46
ADAMTS4 O75173 2/20 0.44
MMP13 P45452 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.40
FFAR1 O14842 2/20 0.40
PDK1 Q15118 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PTGES O14684 2/20 0.39
NR3C1 P04150 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 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
SCHEMBL320798 0.77 F2 (0.39) FOLH1MEP1BMEN1KMT2A
SCHEMBL320799 0.77 F2 (0.39) FOLH1MEP1BMEN1KMT2A
SCHEMBL12505597 0.76 MEP1A (0.56) FOLH1MEP1AMEP1BMAOBSLC6A2
SCHEMBL2773568 0.74 MEP1A (0.57) FOLH1MEP1AMEP1BMAOBSLC6A2
SCHEMBL19002494 0.74 MEP1A (0.53) FOLH1MEP1AMEP1BMAOBSLC6A2
SCHEMBL25489322 0.73 MEP1A (0.48) FOLH1MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL410265 0.73 FFAR1 (0.53) FOLH1MEP1AMEP1BMAOBADAMTS4
SCHEMBL320434 0.73 MEP1A (0.49) FOLH1MEP1AMEP1BMAOBSLC6A2
SCHEMBL17882315 0.73 RIPK1 (0.66) MEP1AMEP1B
SCHEMBL153971 0.72 MEP1A (0.53) FOLH1MEP1AMEP1BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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 (3 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 FOLH1 4820/4885MEP1A 2944/4885MEP1B 2388/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB FOLH1 3864/4885MEP1A 2267/4885MEP1B 1725/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB FOLH1 3864/4885MEP1A 2267/4885MEP1B 1725/4885

“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.