SCHEMBL1338632

SCHEMBL1338632

CCc1ncc(-c2nc(-c3ccc(N4CCN(CCC(=O)O)CC4)cc3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.40
S1PR3 Q99500 4/20 0.40
ALOX5AP P20292 2/20 0.38
BCL2L1 Q07817 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GSK3B P49841 3/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
STAT3 P40763 1/20 0.35
DGAT1 O75907 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
SCHEMBL1338348 0.92 ALOX5AP (0.43) S1PR1S1PR3ALOX5APBCL2L1USP2
SCHEMBL2472515 0.81 BCL2L1 (0.40) S1PR1S1PR3ALOX5APBCL2L1USP2
SCHEMBL1336495 0.79 S1PR1 (0.43) S1PR1S1PR3POLB
SCHEMBL2470317 0.79 BCL2L1 (0.37) S1PR1S1PR3ALOX5APBCL2L1USP2
SCHEMBL1338656 0.78 S1PR1 (0.43) S1PR1S1PR3LMNASMN1; SMN2
SCHEMBL1337442 0.78 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL13263034 0.76 BCL2L1 (0.42) S1PR1S1PR3ALOX5APBCL2L1USP2
SCHEMBL1338579 0.76 CA9 (0.45) S1PR1
SCHEMBL2473744 0.75 ALOX5AP (0.42) S1PR1S1PR3ALOX5APBCL2L1USP2
SCHEMBL1337404 0.73 S1PR1 (0.37) S1PR1S1PR3POLB

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 2/4885ALOX5AP 762/4885

“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.