SCHEMBL451180

SCHEMBL451180

O=C(NS(=O)(=O)c1ccccc1)C1CN(Cc2ccc3cc(OCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.49
S1PR3 Q99500 7/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CCR3 P51677 3/20 0.47
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
S1PR5 Q9H228 3/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL450733 0.85 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL946051 0.84 S1PR1 (0.63) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL949520 0.83 S1PR1 (0.63) S1PR1S1PR3S1PR5
SCHEMBL452470 0.82 S1PR1 (0.53) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL948349 0.80 S1PR1 (0.62) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL946297 0.79 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL13665228 0.79 S1PR1 (0.49) S1PR1S1PR3CCR3CYSLTR2CYSLTR1
SCHEMBL948518 0.76 S1PR1 (0.63) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL947058 0.75 S1PR5 (0.62) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL947322 0.75 S1PR1 (0.62) S1PR1S1PR3S1PR5

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-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 2/4885ITGB3 1893/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR3 3/4885ITGB3 2087/4885

“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.