SCHEMBL79375

SCHEMBL79375

COc1cccc(CCCOc2ccc(CCC(N)(CO)CO[PH2]=O)cc2C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.56
S1PR3 Q99500 7/20 0.42
SPHK2 Q9NRA0 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
PLA2G4A P47712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL81059 0.93 S1PR1 (0.58) S1PR1S1PR3SPHK2SPHK1
SCHEMBL78673 0.91 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL86111 0.91 S1PR1 (0.67) S1PR1S1PR3SPHK2MTNR1AMTNR1B
SCHEMBL81102 0.90 S1PR1 (0.57) S1PR1S1PR3SPHK2SPHK1
SCHEMBL81288 0.90 S1PR1 (0.60) S1PR1S1PR3SPHK2SPHK1
SCHEMBL79369 0.90 S1PR1 (0.59) S1PR1S1PR3SPHK2SPHK1
SCHEMBL82248 0.90 S1PR1 (0.58) S1PR1S1PR3SPHK2SPHK1
Hydrochloric Acid SCHEMBL79054 0.90 S1PR1 (0.66) S1PR1S1PR3MTNR1AMTNR1BGRM2
SCHEMBL81150 0.89 S1PR1 (0.56) S1PR1S1PR3SPHK2SPHK1GRM2
SCHEMBL78847 0.89 S1PR1 (0.56) S1PR1S1PR3SPHK2SPHK1

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 4 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
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 821/4885SPHK2 999/4885

“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.