SCHEMBL21710191

SCHEMBL21710191

CCOC(=O)CCCCN1CC2(CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.54
S1PR5 Q9H228 3/20 0.50
S1PR2 O95136 1/20 0.49
S1PR3 Q99500 1/20 0.49

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
SCHEMBL21710140 0.92 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL21710142 0.92 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL21710074 0.92 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL21710045 0.88 S1PR1 (0.58) S1PR1S1PR5S1PR2S1PR3
SCHEMBL21710046 0.88 S1PR1 (0.58) S1PR1S1PR5S1PR2S1PR3
SCHEMBL21710103 0.88 S1PR1 (0.58) S1PR1S1PR5S1PR2S1PR3
SCHEMBL21710095 0.87 S1PR1 (0.56) S1PR1S1PR5S1PR2S1PR3
SCHEMBL21710138 0.87 S1PR1 (0.56) S1PR1S1PR5S1PR2S1PR3
SCHEMBL21710081 0.87 S1PR1 (0.56) S1PR1S1PR5S1PR2S1PR3
SCHEMBL21710156 0.86 S1PR1 (0.63) S1PR1S1PR5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590929-B1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2021-09-15 EP disclosed
US-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
US-20200048235-A1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-02-13 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 (2 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-20200048235-A1 SPIRO COMPOUND AND USE THEREOF S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR5 5/4885S1PR2 2/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR5 5/4885S1PR2 2/4885

“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.