SCHEMBL20775591

SCHEMBL20775591

O=C(OCc1ccccc1)N1CCc2oc(-c3ccc(F)c(F)c3)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.50
S1PR1 P21453 3/20 0.50
PTGDR2 Q9Y5Y4 13/20 0.49
S1PR3 Q99500 2/20 0.47

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
SCHEMBL17984429 0.93 PTGDR2 (0.49) S1PR5S1PR1PTGDR2
SCHEMBL505382 0.85 PPARA (0.50) S1PR5S1PR1PTGDR2
SCHEMBL504679 0.84 S1PR5 (0.52) S1PR5S1PR1S1PR3
SCHEMBL23012259 0.84 S1PR5 (0.48) S1PR5S1PR1S1PR3
SCHEMBL29479760 0.84 S1PR5 (0.48) S1PR5S1PR1S1PR3
SCHEMBL505149 0.83 GRM5 (0.49) S1PR5PTGDR2
SCHEMBL29479674 0.81 S1PR5 (0.47) S1PR5S1PR1PTGDR2S1PR3
SCHEMBL17982156 0.80 S1PR5 (0.46) S1PR5PTGDR2
SCHEMBL504497 0.80 S1PR5 (0.48) S1PR5S1PR1PTGDR2S1PR3
SCHEMBL505215 0.80 GRM5 (0.56) S1PR5

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-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 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-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 S1PR5 4688/4885S1PR1 4761/4885PTGDR2 1917/4885

“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.