SCHEMBL3060306

SCHEMBL3060306

CC(C)Oc1ccc(-c2nc(-c3cccc4c3CNC4)no2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 6/20 0.84
CYP2C9 P11712 1/20 0.53

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
SCHEMBL3662542 0.92 S1PR1 (1.00) S1PR1S1PR3
Hydrochloric Acid SCHEMBL3064884 0.91 S1PR1 (0.98) S1PR1S1PR3
SCHEMBL2991922 0.90 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2994197 0.87 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3051128 0.87 S1PR1 (0.78) S1PR1S1PR3
Hydrochloric Acid SCHEMBL2988751 0.87 S1PR1 (0.98) S1PR1S1PR3
SCHEMBL12669606 0.86 S1PR1 (0.81) S1PR1S1PR3CYP2C9
Hydrochloric Acid SCHEMBL3066428 0.86 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL13089015 0.86 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL2995090 0.84 S1PR1 (1.00) S1PR1S1PR3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261767-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS HEER JAG PAUL 2010-10-14 US claimed
US-20100261767-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS HEER JAG PAUL 2010-10-14 US disclosed
US-20100261767-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS HEER JAG PAUL 2010-10-14 US disclosed
US-20100261767-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS HEER JAG PAUL 2010-10-14 US disclosed
EP-2222670-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080729-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080729-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2009-07-02 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-20100261767-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885CYP2C9 4229/4885

“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.