SCHEMBL79369

SCHEMBL79369

COc1ccc(CCCOc2ccc(CCC(N)(CO)CO[PH2]=O)cc2C(F)(F)F)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.59
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
S1PR3 Q99500 9/20 0.39
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
S1PR4 O95977 4/20 0.36
S1PR5 Q9H228 4/20 0.36
S1PR2 O95136 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL81893 0.93 S1PR1 (0.57) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL81059 0.92 S1PR1 (0.58) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL79375 0.90 S1PR1 (0.56) S1PR1SPHK2SPHK1S1PR3
SCHEMBL79957 0.90 S1PR1 (0.63) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL79986 0.90 S1PR1 (0.60) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL80754 0.89 S1PR1 (0.55) S1PR1SPHK2SPHK1S1PR3KCNH2
SCHEMBL86329 0.89 S1PR1 (0.72) S1PR1SPHK2SPHK1S1PR3KCNH2
SCHEMBL80192 0.89 S1PR1 (0.59) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL80701 0.89 S1PR1 (0.59) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL79184 0.89 S1PR1 (0.58) S1PR1SPHK2SPHK1S1PR3S1PR4

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 511/4885SPHK2 999/4885SPHK1 1005/4885

“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.