SCHEMBL2343496

SCHEMBL2343496

Cc1c(F)c(-c2noc(-c3ccc(CN4CCCC4CC(=O)O)cc3)n2)c(F)c(F)c1N1CCC(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.39
S1PR3 Q99500 7/20 0.39
MCHR1 Q99705 1/20 0.38
SPHK1 Q9NYA1 2/20 0.37
S1PR5 Q9H228 13/20 0.37
S1PR4 O95977 11/20 0.37
SPHK2 Q9NRA0 1/20 0.37
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL1967577 0.78 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2343395 0.78 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL14822485 0.67 OPRD1 (0.53) SPHK1SPHK2
SCHEMBL3689270 0.67 OPRD1 (0.53) SPHK1SPHK2
SCHEMBL15481709 0.64 OPRD1 (0.58) SPHK1SPHK2CD274
SCHEMBL5221713 0.60 SPHK1 (0.66) SPHK1SPHK2
SCHEMBL5221700 0.60 SPHK1 (0.66) SPHK1SPHK2
SCHEMBL1312795 0.60 S1PR1 (0.60) S1PR1S1PR3SPHK1S1PR5S1PR4
SCHEMBL8408488 0.60 GBA1 (0.48)
SCHEMBL5227257 0.59 SPHK1 (0.52) SPHK1SPHK2

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-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR3 1/4885MCHR1 899/4885

“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.