SCHEMBL3107537

SCHEMBL3107537

NC(CO)(CO)CCCc1ccc(Oc2cccc(OCc3cc(Cl)cc(Cl)c3)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.44
S1PR3 Q99500 2/20 0.44
FFAR1 O14842 5/20 0.37
MAOB P27338 4/20 0.36
PKM P14618 1/20 0.36
MAOA P21397 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 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
SCHEMBL3110012 0.93 S1PR1 (0.45) S1PR1S1PR3MAOBPKMMAOA
SCHEMBL1449658 0.91 S1PR1 (0.53) S1PR1S1PR3FFAR1MAOBFFAR4
Hydrochloric Acid SCHEMBL3109957 0.90 S1PR1 (0.52) S1PR1S1PR3FFAR1MAOBFFAR4
SCHEMBL3112604 0.88 S1PR1 (0.52) S1PR1S1PR3FFAR1MAOBFFAR4
Hydrochloric Acid SCHEMBL3120105 0.87 S1PR1 (0.52) S1PR1S1PR3FFAR1MAOBFFAR4
SCHEMBL3115018 0.85 S1PR1 (0.49) S1PR1S1PR3FFAR1MAOBFFAR4
SCHEMBL777075 0.84 S1PR1 (0.60) S1PR1S1PR3FFAR1MAOBFFAR4
SCHEMBL5793202 0.84 S1PR1 (0.57) S1PR1S1PR3FFAR1MAOBFFAR4
Hydrochloric Acid SCHEMBL3122033 0.83 S1PR1 (0.59) S1PR1S1PR3FFAR1MAOBFFAR4
SCHEMBL3513167 0.82 S1PR1 (0.48) S1PR1S1PR3FFAR1MAOBPKM

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-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
WO-2005014603-A1 PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO 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-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant IL2, TSLP, HLA-DRB1 S1PR1 927/4885S1PR3 776/4885FFAR1 3325/4885

“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.