SCHEMBL386934

SCHEMBL386934

Cn1c(C#CCCCc2ccccc2)ccc1CC[C@@](C)(N)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCCCc2ccccc2)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 6/20 0.43
S1PR5 Q9H228 6/20 0.43
CXCR2 P25025 1/20 0.36
LMNA P02545 1/20 0.35
S1PR4 O95977 5/20 0.33
ALDH1A1 P00352 2/20 0.33
GRM5 P41594 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HTR1A P08908 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL5657392 0.94 S1PR1 (0.40) S1PR1S1PR3S1PR5LMNAS1PR4
SCHEMBL383331 0.87 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4
Oxalic Acid SCHEMBL386933 0.86 S1PR1 (0.38) S1PR1S1PR3S1PR5CXCR2LMNA
SCHEMBL387022 0.86 GRM5 (0.37) S1PR1S1PR3S1PR5CXCR2GRM5
SCHEMBL5657253 0.84 S1PR1 (0.47) S1PR1S1PR3S1PR5LMNAS1PR4
SCHEMBL5658171 0.83 S1PR1 (0.46) S1PR1S1PR3S1PR5LMNAS1PR4
SCHEMBL386909 0.83 S1PR1 (0.44) S1PR1S1PR3S1PR5CXCR2S1PR4
SCHEMBL384555 0.80 CXCR2 (0.38) S1PR1S1PR3S1PR5CXCR2ALDH1A1
SCHEMBL386564 0.78 CXCR2 (0.37) CXCR2LMNAALDH1A1GRM5CYP3A4
SCHEMBL3195967 0.78 S1PR1 (0.42) S1PR1S1PR3S1PR5LMNAADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT S1PR1 257/4885S1PR3 414/4885S1PR5 503/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 S1PR1 159/4885S1PR3 194/4885S1PR5 345/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB S1PR1 465/4885S1PR3 504/4885S1PR5 1007/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 S1PR1 70/4885S1PR3 89/4885S1PR5 163/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A S1PR1 593/4885S1PR3 622/4885S1PR5 980/4885

“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.