SCHEMBL1337433

SCHEMBL1337433

CC1(C)CCc2c(cncc2-c2nc(-c3ccc(S(=O)(=O)NCCC(=O)O)cc3)no2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HDAC4 P56524 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1743666 0.92 S1PR1 (0.35) S1PR1S1PR3ALDH1A1HDAC4HDAC6
SCHEMBL1338064 0.89 HDAC4 (0.36) S1PR1S1PR3HDAC4HDAC6LMNA
SCHEMBL1338485 0.88 S1PR1 (0.37) S1PR1S1PR3PIK3CDPIK3CBPIK3CG
SCHEMBL1743669 0.85 PIK3CD (0.32) S1PR1S1PR3HDAC4HDAC6LMNA
SCHEMBL1336495 0.85 S1PR1 (0.43) S1PR1S1PR3ALDH1A1HDAC4HDAC6
SCHEMBL1337475 0.84 S1PR1 (0.46) S1PR1S1PR3LMNATSHR
SCHEMBL1336492 0.82 S1PR1 (0.41) S1PR1S1PR3ALDH1A1NPSR1MAPT
SCHEMBL13263464 0.81 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL1742464 0.79 S1PR1 (0.37) S1PR1S1PR3TSHR
SCHEMBL1744005 0.79 S1PR1 (0.39) S1PR1S1PR3ALDH1A1NPSR1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US claimed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP claimed
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885ALDH1A1 2114/4885

“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.