Sugi Predict

Sugi Predict / Compounds / SCHEMBL453802

SCHEMBL453802

SCHEMBL453802

O=C(CCNCCCc1ccc(OCCCc2ccccc2)cc1)NS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.59
▸ S1PR3 Q99500 4/20 0.59
▸ S1PR5 Q9H228 1/20 0.54
▸ LTA4H P09960 3/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL450201 0.93 S1PR1 (0.57) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL449469 0.89 S1PR1 (0.62) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL451674 0.89 S1PR1 (0.59) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL448873 0.89 S1PR1 (0.61) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL469078 0.88 S1PR1 (0.69) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL451086 0.87 S1PR1 (0.62) S1PR1S1PR3S1PR5LTA4HFFAR1
Hydrochloric Acid SCHEMBL453376 0.87 S1PR1 (0.67) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL448995 0.87 S1PR1 (0.59) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL450891 0.86 S1PR1 (0.56) S1PR1S1PR3S1PR5LTA4HFFAR1
SCHEMBL453905 0.86 S1PR1 (0.58) S1PR1S1PR3S1PR5LTA4HFFAR1

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 — — US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 — — US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 — — US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 — — US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 — — US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 — — EP 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR5 5/4885

“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.