SCHEMBL3042200

SCHEMBL3042200

O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 16/20 1.00
S1PR1 P21453 13/20 1.00
PDGFRA P16234 2/20 0.76
PIM1 P11309 1/20 0.69
GRK5 P34947 1/20 0.67
CDK8 P49336 1/20 0.67
S1PR4 O95977 1/20 0.65
S1PR3 Q99500 1/20 0.65
PRKX P51817 1/20 0.62
IKBKE Q14164 1/20 0.62
PRKD3 O94806 1/20 0.61
CDK7 P50613 1/20 0.61
JAK3 P52333 1/20 0.61
TNK2 Q07912 1/20 0.61
HTR2A P28223 1/20 0.57
KCNH2 Q12809 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
MRGPRX4 Q96LA9 4/20 0.56

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
SCHEMBL3031534 0.89 S1PR5 (1.00) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL3037632 0.87 S1PR5 (1.00) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL3040314 0.86 S1PR5 (0.76) S1PR5S1PR1PDGFRAS1PR4S1PR3
SCHEMBL3037996 0.82 S1PR5 (1.00) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL31395035 0.81 S1PR5 (0.82) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL3046848 0.81 S1PR5 (0.74) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL3043545 0.81 S1PR1 (1.00) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL31395043 0.79 S1PR5 (0.85) S1PR5S1PR1PDGFRAPIM1GRK5
SCHEMBL13415794 0.79 S1PR5 (1.00) S1PR5S1PR1S1PR4S1PR3
SCHEMBL3037819 0.79 S1PR5 (1.00) S1PR5S1PR1PDGFRAS1PR4S1PR3

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 6 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
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

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.