SCHEMBL2185272

SCHEMBL2185272

CCCCCCCCCCCCCCOc1ccc(CCCCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.67
S1PR3 Q99500 3/20 0.67
S1PR4 O95977 2/20 0.67
FFAR1 O14842 2/20 0.67
LMNA P02545 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
PLA2G4B P0C869 6/20 0.65
S1PR5 Q9H228 2/20 0.61
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
GAA P10253 1/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL2185966 1.00 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL11845832 1.00 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL9663932 1.00 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL8080040 0.98 FFAR1 (0.68) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL9663920 0.97 LMNA (0.69) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL8001563 0.97 LMNA (0.69) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL7995339 0.97 LMNA (0.69) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL9259693 0.96 S1PR1 (0.62) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL25175626 0.95 S1PR1 (0.68) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL11309024 0.95 S1PR1 (0.68) S1PR1S1PR3S1PR4FFAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343306-B1 Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates JAPAN PRESIDENT NAT CT NEUROLOGY & PSYCHIATRY (JP) 2018-04-04 EP disclosed
US-8034908-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2011-10-11 US disclosed
EP-2343306-A1 Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates Japan as represented by President of National Center of Neurology and Psychiatry Ministry of Health (JP) 2011-07-13 EP disclosed
US-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF JAPAN AS REPRESENTED BY THE PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-08-19 US disclosed
US-7732583-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-06-08 US disclosed
US-20060074235-A1 Glycolipids derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2006-04-06 US disclosed
EP-1619199-A1 GLYCOLIPID DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, INTERMEDIATES FOR SYNTHESIS THEREOF, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Daiichi Asubio Pharma Co., Ltd. (JP) 2006-01-25 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 (1 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-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF SGMS1, UGCG, SGMS2 S1PR1 12/4885S1PR3 9/4885S1PR4 13/4885

“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.