SCHEMBL80753

SCHEMBL80753

COc1ccccc1CCCOc1ccc(CCC(N)(CO)COP=O)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.55
S1PR3 Q99500 9/20 0.37
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
NR3C2 P08235 1/20 0.35
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL79146 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5NR3C2
SCHEMBL80461 0.90 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL86467 0.90 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5NR3C2
SCHEMBL79898 0.90 S1PR1 (0.54) S1PR1S1PR3SPHK2SPHK1
SCHEMBL80418 0.90 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5
SCHEMBL79368 0.89 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5SPHK2
Hydrochloric Acid SCHEMBL80490 0.89 S1PR1 (0.66) S1PR1S1PR3S1PR4S1PR5NR3C2
SCHEMBL86595 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5
SCHEMBL80754 0.88 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5NR3C2
SCHEMBL82094 0.88 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885S1PR3 821/4885S1PR4 578/4885

“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.