SCHEMBL2522869

SCHEMBL2522869

CCCCCCNN1CCC[C@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.45
SPHK1 Q9NYA1 5/20 0.45
GNAI3 P08754 4/20 0.42
GNAO1 P09471 4/20 0.42
GNAI1 P63096 4/20 0.42
OPRD1 P41143 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 1/20 0.38
DPP4 P27487 2/20 0.37
NAAA Q02083 1/20 0.37
EPHX1 P07099 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL19223769 0.71 SPHK2 (0.67) SPHK2SPHK1OPRD1S1PR1S1PR3
SCHEMBL12947562 0.71
SCHEMBL12947620 0.71
SCHEMBL20330675 0.69 SPHK2 (0.64) SPHK2SPHK1OPRD1S1PR1S1PR3
SCHEMBL4383140 0.69 SPHK2 (0.64) SPHK2SPHK1OPRD1S1PR1S1PR3
SCHEMBL16925054 0.69
SCHEMBL20781724 0.68 SPHK2 (0.45) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL3476977 0.67 GNAI3 (0.44) GNAI3GNAO1GNAI1EPHX1
SCHEMBL8428941 0.67 GNAI3 (0.44) GNAI3GNAO1GNAI1EPHX1
SCHEMBL8424535 0.67 GNAI3 (0.44) GNAI3GNAO1GNAI1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250138-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
WO-2009018332-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND ALNYLAM PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110250138-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND SLC40A1, SLCO1B1, SLCO2A1 SPHK2 2784/4885SPHK1 2447/4885GNAI3 1977/4885

“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.