SCHEMBL2803800

SCHEMBL2803800

CC(C)COc1ccc(C(=O)O)cc1NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.50
MAX P61244 4/20 0.50
EP300 Q09472 3/20 0.47
NEU3 Q9UQ49 1/20 0.46
XDH P47989 1/20 0.46
NR1H4 Q96RI1 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HIF1A Q16665 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL2772518 0.96 MYC (0.47) MYCMAXEP300NEU3XDH
SCHEMBL15662236 0.85 TSHR (0.56) NEU3SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL23226755 0.81 CYP19A1 (0.54) SMN1; SMN2RXRARXRBRXRGMEN1
SCHEMBL5494824 0.80 ACLY (0.58) NEU3NPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL14481111 0.80 PDE4A (0.49) NEU3NR1H4SMN1; SMN2KDM4EHSD17B10
SCHEMBL27632253 0.76 MYC (0.51) MYCMAXEP300XDHNR1H4
SCHEMBL28607405 0.76 PTPN11 (0.51) MYCMAXEP300XDHNR1H4
SCHEMBL567311 0.75 NEU3 (0.63) NEU3SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL29791247 0.75 NEU3 (0.63) NEU3SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL4275354 0.75 CA12 (0.67) MYCMAXNPSR1

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 13 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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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
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 MYC 3932/4885MAX 4327/4885EP300 788/4885

“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.