SCHEMBL81150

SCHEMBL81150

NC(CO)(CCc1ccc(OCCCc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1)CO[PH2]=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.56
FFAR4 Q5NUL3 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
S1PR3 Q99500 3/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
NR3C2 P08235 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SCD O00767 2/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL78849 0.93 S1PR1 (0.57) S1PR1RXRARXRBRXRGS1PR3
SCHEMBL81288 0.92 S1PR1 (0.60) S1PR1S1PR3SPHK2SPHK1
SCHEMBL79184 0.92 S1PR1 (0.58) S1PR1RXRARXRBRXRGS1PR3
SCHEMBL82248 0.92 S1PR1 (0.58) S1PR1S1PR3SPHK2SPHK1
SCHEMBL78847 0.91 S1PR1 (0.56) S1PR1S1PR3SPHK2SPHK1
SCHEMBL81816 0.90 S1PR1 (0.55) S1PR1S1PR3SPHK2SPHK1
SCHEMBL80870 0.90 S1PR1 (0.55) S1PR1S1PR3SPHK2SPHK1
SCHEMBL81102 0.90 S1PR1 (0.57) S1PR1S1PR3SPHK2SPHK1
SCHEMBL80408 0.90 S1PR1 (0.68) S1PR1FFAR4RXRARXRBRXRG
SCHEMBL79375 0.89 S1PR1 (0.56) S1PR1S1PR3GRM2GRM3SPHK2

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-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP claimed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US claimed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP claimed
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 511/4885FFAR4 1753/4885RXRA 2753/4885

“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.