SCHEMBL3115018

SCHEMBL3115018

NC(CO)(CO)CCCc1ccc(Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
PIM1 P11309 1/20 0.49
PDGFRA P16234 1/20 0.49
S1PR5 Q9H228 1/20 0.49
MAOB P27338 8/20 0.47
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NR4A2 P43354 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
S1PR3 Q99500 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL3120483 0.89 S1PR1 (0.45) S1PR1PIM1PDGFRAS1PR5MAOB
SCHEMBL3110012 0.89 S1PR1 (0.45) S1PR1MAOBNR4A2S1PR3
SCHEMBL1449658 0.88 S1PR1 (0.53) S1PR1S1PR5MAOBFFAR1FFAR4
Hydrochloric Acid SCHEMBL3109957 0.88 S1PR1 (0.52) S1PR1S1PR5MAOBFFAR1FFAR4
SCHEMBL3107537 0.85 S1PR1 (0.44) S1PR1MAOBFFAR1FFAR4NR4A2
SCHEMBL3112604 0.85 S1PR1 (0.52) S1PR1S1PR5MAOBFFAR1FFAR4
Hydrochloric Acid SCHEMBL3120105 0.85 S1PR1 (0.52) S1PR1S1PR5MAOBFFAR1FFAR4
SCHEMBL13259332 0.84 S1PR1 (0.48) S1PR1MAOBS1PR3
SCHEMBL5793202 0.82 S1PR1 (0.57) S1PR1S1PR5MAOBFFAR1FFAR4
SCHEMBL777075 0.82 S1PR1 (0.60) S1PR1S1PR5MAOBFFAR1FFAR4

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-1431275-B1 DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT KYORIN SEIYAKU KK (JP) 2010-04-07 EP claimed
US-6963012-B2 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US claimed
US-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-12-02 US claimed
EP-1431275-A1 DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP claimed

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-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant IL2, TSLP, HLA-DRB1 S1PR1 927/4885PIM1 1065/4885PDGFRA 1738/4885

“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.