SCHEMBL2771877

SCHEMBL2771877

COC(=O)c1ccc(-c2ccccc2C)c(S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
VCAM1 P19320 1/20 0.49
CMA1 P23946 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
PDK2 Q15119 2/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRC P08575 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
EGFR P00533 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2773164 0.95 PTGS2 (0.51) PTGS2VCAM1CMA1KDM4EALDH1A1
SCHEMBL2776075 0.84 TTR (0.50) KDM4EALDH1A1POLBSMN1; SMN2PTPRC
SCHEMBL410258 0.84 PDK2 (0.51) PTGS2KDM4EALDH1A1GAAHPGD
SCHEMBL408614 0.81 XDH (0.59) PTGS2KDM4EALDH1A1GAAHPGD
SCHEMBL30031799 0.81 VCAM1 (0.57) PTGS2VCAM1CMA1KDM4EALDH1A1
SCHEMBL1495428 0.81 VCAM1 (0.57) PTGS2VCAM1CMA1KDM4EALDH1A1
SCHEMBL2774426 0.80 PTGS2 (0.46) PTGS2KDM4EALDH1A1GAAPKM
SCHEMBL2775562 0.79 S1PR1 (0.36) PTGS2CMA1ALDH1A1POLBSMN1; SMN2
SCHEMBL8895570 0.78 PTGS2 (0.60) PTGS2VCAM1CMA1KDM4EALDH1A1
SCHEMBL2772773 0.78 MAPT (0.53) GAAPDK2POLBSMN1; SMN2EGFR

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 PTGS2 1713/4885VCAM1 1051/4885CMA1 4003/4885

“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.