SCHEMBL2773446

SCHEMBL2773446

COc1cc(C(=O)O)c(F)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
STING1 Q86WV6 1/20 0.41
F11 P03951 3/20 0.41
KLKB1 P03952 2/20 0.41
IMPDH2 P12268 1/20 0.40
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 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
SCHEMBL2774399 0.93 GAA (0.44) LCKFYNALDH1A1STING1F11
SCHEMBL2806797 0.86 GAA (0.48) ALDH1A1LMNAHTTSTING1IMPDH2
SCHEMBL8902619 0.81 ALDH1A1 (0.50) LCKFYNALDH1A1STING1F11
SCHEMBL1766160 0.81 LCK (0.60) LCKFYNALDH1A1LMNAMAPK1
SCHEMBL2771853 0.81 CHEK1 (0.49) LCKFYNALDH1A1STING1F11
SCHEMBL5470003 0.81 ALDH1A1 (0.46) LCKFYNALDH1A1LMNAMAPK1
SCHEMBL8300964 0.79 TRPV4 (0.48) KDM4E
SCHEMBL18700941 0.79 HTT (0.55) LCKFYNALDH1A1LMNAMAPK1
SCHEMBL286978 0.79 KDM4E (0.50) ALDH1A1IMPDH2KDM4EUSP2
SCHEMBL25851502 0.77 CHEK1 (0.46) LCKFYNALDH1A1HTTRAB9A

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-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 LCK 912/4885FYN 1142/4885ALDH1A1 516/4885

“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.