SCHEMBL3040326

SCHEMBL3040326

O=C(O)C1CCN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.82
S1PR5 Q9H228 9/20 0.82
PRKX P51817 2/20 0.82
IKBKE Q14164 1/20 0.82
PDGFRA P16234 2/20 0.67
PIM1 P11309 1/20 0.67
PRKD3 O94806 1/20 0.67
CDK7 P50613 1/20 0.67
JAK3 P52333 1/20 0.67
TNK2 Q07912 1/20 0.67
MAOB P27338 4/20 0.52
MAOA P21397 1/20 0.52
NR4A2 P43354 2/20 0.51
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SERPINE1 P05121 1/20 0.48
ACVR1 Q04771 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3036762 0.90 S1PR5 (1.00) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL3043569 0.89 S1PR1 (0.83) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL3033617 0.83 S1PR1 (0.80) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL22084364 0.83 S1PR1 (0.58) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL31395043 0.82 S1PR5 (0.85) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL29783820 0.80 SIGMAR1 (0.67) S1PR1S1PR5PDGFRASERPINE1
SCHEMBL4958680 0.80 SIGMAR1 (0.67) S1PR1S1PR5PDGFRASERPINE1
SCHEMBL3037996 0.80 S1PR5 (1.00) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL3042498 0.80 S1PR5 (1.00) S1PR1S1PR5PRKXIKBKEPDGFRA
SCHEMBL3037912 0.79 S1PR1 (0.66) S1PR1S1PR5PRKXIKBKEPDGFRA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 S1PR1 3/4885S1PR5 1/4885PRKX 2082/4885

“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.