SCHEMBL1398658

SCHEMBL1398658

CCOC(=O)C(C)(C)CCn1ncc2c(C(=N)NO)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP8 P22894 1/20 0.34
PDE4B Q07343 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE4D Q08499 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1398482 0.92 CYP11B2 (0.37) CYP11B2MEN1KMT2ACYP3A4CYP2C19
SCHEMBL1398527 0.84 CREBBP (0.42) MEN1KMT2APDE4BKDM4EALDH1A1
SCHEMBL1398522 0.84 MEN1 (0.38) SCN9ASCN10AMEN1KMT2ACYP3A4
SCHEMBL12809019 0.83 KMT2A (0.37) SCN9ASCN10AMEN1KMT2ACYP3A4
SCHEMBL12809018 0.83 MEN1 (0.39) SCN9ASCN10AMEN1KMT2ACYP3A4
SCHEMBL1398484 0.82 CNR1 (0.47) MEN1KMT2APDE4BKDM4EPDE4D
SCHEMBL1398518 0.79 MAPT (0.39) SCN9ASCN10AMEN1KMT2AKDM4E
SCHEMBL1981917 0.78 TP53 (0.44) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL15997921 0.74 CYP11B2 (0.51) CYP11B2SCN9ASCN10AMEN1KMT2A
SCHEMBL14039723 0.74 KMT2A (0.38) CYP11B2MEN1KMT2APDE4BKDM4E

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
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 CYP11B2 237/4885SCN9A 1666/4885SCN10A 1636/4885

“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.