SCHEMBL3046848

SCHEMBL3046848

O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)nc2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 14/20 0.74
S1PR1 P21453 12/20 0.74
PDGFRA P16234 2/20 0.74
GRK5 P34947 1/20 0.66
CDK8 P49336 1/20 0.66
PRKX P51817 1/20 0.63
IKBKE Q14164 1/20 0.63
PIM1 P11309 1/20 0.62
PRKD3 O94806 1/20 0.62
CDK7 P50613 1/20 0.62
JAK3 P52333 1/20 0.62
TNK2 Q07912 1/20 0.62
MRGPRX4 Q96LA9 1/20 0.53
CD274 Q9NZQ7 1/20 0.51
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL31395090 0.87 S1PR5 (0.67) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL3037632 0.85 S1PR5 (1.00) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL3033989 0.85 S1PR5 (0.69) S1PR5S1PR1PDGFRAPRKXCD274
SCHEMBL13221311 0.83 MRGPRX4 (0.53) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL3031534 0.82 S1PR5 (1.00) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL3042200 0.81 S1PR5 (1.00) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL3036847 0.80 S1PR5 (0.73) S1PR5S1PR1PDGFRAPRKXCD274
SCHEMBL31395035 0.80 S1PR5 (0.82) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL31395043 0.80 S1PR5 (0.85) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL3043545 0.80 S1PR1 (1.00) S1PR5S1PR1PDGFRAGRK5CDK8

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
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO 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
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 S1PR5 1/4885S1PR1 3/4885PDGFRA 159/4885

“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.