SCHEMBL451029

SCHEMBL451029

O=S(=O)(NCCNCc1ccc2cc(OCCCc3ccccc3)ccc2c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.53
NPY5R Q15761 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TPSAB1 Q15661 4/20 0.52
PPARG P37231 1/20 0.51
FLT3 P36888 1/20 0.49
HRAS P01112 1/20 0.48
KRAS P01116 1/20 0.48
TBXA2R P21731 1/20 0.48
TBXAS1 P24557 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
POLB P06746 1/20 0.46
BCHE P06276 2/20 0.46
CYP19A1 P11511 1/20 0.45
SLC2A1 P11166 1/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL947719 0.80 S1PR1 (0.70) PPARG
Hydrochloric Acid SCHEMBL3541048 0.79 S1PR1 (0.68) PPARG
SCHEMBL948219 0.79 S1PR1 (0.65) PPARGBCHE
SCHEMBL448872 0.77 PPARG (0.55) PPARGBCHE
SCHEMBL947200 0.77 FFAR1 (0.59) PPARG
SCHEMBL15890895 0.76 S1PR1 (0.70) PPARG
SCHEMBL454055 0.76 PPARG (0.56) PPARGBCHESLC2A1
SCHEMBL451344 0.76 PPARG (0.56) PPARGBCHESLC2A1
SCHEMBL6762092 0.76 HTT (0.66) ALDH1A1HRASKRASTBXA2RTBXAS1
Hydrochloric Acid SCHEMBL5722062 0.76 S1PR1 (0.69) PPARG

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 NPY1R 389/4885NPY5R 967/4885ALDH1A1 2245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 NPY1R 379/4885NPY5R 905/4885ALDH1A1 2082/4885

“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.