SCHEMBL2774348

SCHEMBL2774348

COC(=O)c1ccc(-c2noc(-c3ccc(-c4cscc4C)c(OC)c3)n2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.63
MAPT P10636 2/20 0.52
S1PR3 Q99500 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2809248 0.93 S1PR1 (0.66) S1PR1MAPTS1PR3SMN1; SMN2RARA
SCHEMBL2774458 0.92 S1PR1 (0.58) S1PR1MAPTS1PR3RARARARB
SCHEMBL2770808 0.88 S1PR1 (0.60) S1PR1MAPTS1PR3SMN1; SMN2NPC1
SCHEMBL2773026 0.87 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL2771971 0.86 S1PR1 (0.64) S1PR1MAPTS1PR3RARARARB
SCHEMBL2772630 0.85 TP53 (0.53) S1PR1MAPTS1PR3SMN1; SMN2RARA
SCHEMBL2772255 0.84 S1PR1 (0.64) S1PR1MAPTS1PR3SMN1; SMN2L3MBTL1
SCHEMBL2774286 0.81 S1PR1 (0.57) S1PR1S1PR3RARARARBRARG
SCHEMBL2772009 0.81 S1PR1 (0.52) S1PR1MAPTS1PR3SMN1; SMN2RARA
SCHEMBL2809498 0.80 S1PR1 (0.70) S1PR1S1PR3SMN1; SMN2RARARARB

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.