SCHEMBL1980736

SCHEMBL1980736

CC(C)(C)OC(=O)n1ncc2c(C#N)cccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.39
SCN9A Q15858 3/20 0.38
SCN5A Q14524 1/20 0.38
EGFR P00533 1/20 0.36
ITK Q08881 1/20 0.36
ELANE P08246 2/20 0.36
GPR119 Q8TDV5 3/20 0.36
AR P10275 2/20 0.36
NR1H2 P55055 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
F2 P00734 2/20 0.35
KMT2A Q03164 2/20 0.35
PLAU P00749 1/20 0.34
CTRB1 P17538 1/20 0.34
EPHB3 P54753 1/20 0.34
MEN1 O00255 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
SCHEMBL1743109 0.81 MAP2K4 (0.41) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL1161618 0.81 NPC1 (0.52) NPC1RAB9AKMT2AMEN1
SCHEMBL1980170 0.81 NOTUM (0.41) ELANENPC1RAB9AF2KMT2A
SCHEMBL31305878 0.81 MAP2K4 (0.39) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL26123523 0.81 MAP2K4 (0.39) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL21223059 0.80 MAP2K4 (0.47) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL29510728 0.80 MAP2K4 (0.45) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL17632197 0.80 NPC1 (0.46) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL30376133 0.80 NPC1 (0.46) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL3695671 0.80 KMT2A (0.46) MAP2K4SCN9ASCN5AEGFRITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 MAP2K4 3386/4885SCN9A 1995/4885SCN5A 1587/4885

“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.