SCHEMBL2772009

SCHEMBL2772009

COC(=O)c1ccc(-c2noc(-c3ccc(-c4cc(OC)ccc4OC)c(C)c3)n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.52
MAPT P10636 3/20 0.51
S1PR3 Q99500 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TPH1 P17752 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2772630 0.94 TP53 (0.53) S1PR1MAPTS1PR3SMN1; SMN2TP53
SCHEMBL2772526 0.93 S1PR1 (0.56) S1PR1MAPTS1PR3SMN1; SMN2TP53
SCHEMBL2772255 0.89 S1PR1 (0.64) S1PR1MAPTS1PR3SMN1; SMN2TP53
SCHEMBL2803950 0.86 S1PR1 (0.56) S1PR1MAPTS1PR3SMN1; SMN2TP53
SCHEMBL2774919 0.85 S1PR1 (0.64) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2770808 0.83 S1PR1 (0.60) S1PR1MAPTS1PR3SMN1; SMN2KDM4E
SCHEMBL2774458 0.83 S1PR1 (0.58) S1PR1MAPTS1PR3NPC1RAB9A
SCHEMBL2771651 0.83 S1PR1 (0.57) S1PR1MAPTS1PR3NPC1RAB9A
SCHEMBL2774239 0.82 S1PR1 (0.59) S1PR1MAPTS1PR3KDM4ENPC1
SCHEMBL2773615 0.82 S1PR1 (0.56) S1PR1MAPTS1PR3NPC1RAB9A

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 S1PR1 483/4885MAPT 3455/4885S1PR3 335/4885

“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.