SCHEMBL3027902

SCHEMBL3027902

O=C(Cc1cccc(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)O)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 15/20 0.76
S1PR1 P21453 10/20 0.76
GRK5 P34947 1/20 0.76
CDK8 P49336 1/20 0.76
PDGFRA P16234 2/20 0.69
PIM1 P11309 1/20 0.59
PRKX P51817 1/20 0.55
IKBKE Q14164 1/20 0.55
PRKD3 O94806 1/20 0.54
CDK7 P50613 1/20 0.54
JAK3 P52333 1/20 0.54
TNK2 Q07912 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
KDM4E B2RXH2 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 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
SCHEMBL3043545 0.86 S1PR1 (1.00) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL13259659 0.86 S1PR5 (0.55) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL3037437 0.83 S1PR5 (1.00) S1PR5S1PR1
SCHEMBL3034532 0.81 S1PR5 (1.00) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL3037632 0.81 S1PR5 (1.00) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL3042238 0.79 S1PR5 (1.00) S1PR5S1PR1PDGFRASIGMAR1
SCHEMBL3808340 0.79 S1PR5 (0.68) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL31395035 0.78 S1PR5 (0.82) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL423797 0.78 MEN1 (0.62) OPRM1
SCHEMBL3042200 0.77 S1PR5 (1.00) S1PR5S1PR1GRK5CDK8PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 3/4885GRK5 51/4885

“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.