SCHEMBL4930104

SCHEMBL4930104

O=C(O)CCC(=O)Nc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.61
S1PR3 Q99500 5/20 0.61
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HAVCR2 Q8TDQ0 1/20 0.48
S1PR5 Q9H228 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4930096 1.00 S1PR1 (0.61) S1PR1S1PR3TP53MAPTLMNA
SCHEMBL4931695 0.93 S1PR1 (0.60) S1PR1S1PR3TP53MAPTLMNA
SCHEMBL4619069 0.93 S1PR1 (0.59) S1PR1S1PR3TP53MAPTLMNA
SCHEMBL4923479 0.90 S1PR1 (0.56) S1PR1S1PR3TP53MAPTLMNA
SCHEMBL4618456 0.87 S1PR1 (0.48) S1PR1TP53MAPTLMNAHAVCR2
SCHEMBL4934613 0.85 S1PR1 (0.52) S1PR1S1PR3MAPTHAVCR2S1PR5
SCHEMBL4618961 0.85 MEN1 (0.64) S1PR1S1PR3TP53MAPTLMNA
SCHEMBL4618965 0.85 MEN1 (0.64) S1PR1S1PR3TP53MAPTLMNA
SCHEMBL3275081 0.85 S1PR1 (0.47) S1PR1S1PR3MAPT
SCHEMBL4929190 0.85 S1PR1 (0.45) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands SOX18, SIGMAR1, SUCNR1 S1PR1 13/4885S1PR3 22/4885TP53 1345/4885

“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.