SCHEMBL450122

SCHEMBL450122

CC(=O)Nc1ccc(S(=O)(=O)NC(=O)CCNCCCc2ccc(OCCCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.58
S1PR3 Q99500 3/20 0.58
PPARA Q07869 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
S1PR5 Q9H228 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LTA4H P09960 2/20 0.51
HPGD P15428 1/20 0.48
SGMS1 Q86VZ5 3/20 0.48

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
SCHEMBL469078 0.89 S1PR1 (0.69) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL449652 0.89 S1PR1 (0.62) S1PR1S1PR3PPARAS1PR5MEN1
Hydrochloric Acid SCHEMBL453376 0.88 S1PR1 (0.67) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL449469 0.87 S1PR1 (0.62) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL451086 0.87 S1PR1 (0.62) S1PR1S1PR3PPARAS1PR5ALDH1A1
SCHEMBL448469 0.86 S1PR1 (0.59) S1PR1S1PR3PPARAS1PR5MEN1
SCHEMBL450227 0.84 S1PR1 (0.59) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL450201 0.83 S1PR1 (0.57) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL451186 0.82 S1PR1 (0.59) S1PR1S1PR3S1PR5ALDH1A1LTA4H
SCHEMBL453802 0.82 S1PR1 (0.59) S1PR1S1PR3S1PR5LTA4H

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 2/4885PPARA 1804/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR3 3/4885PPARA 1684/4885

“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.