SCHEMBL23948898

SCHEMBL23948898

OC1CCc2c(-c3cccc4c3CCC4O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
NR3C2 P08235 1/20 0.42
POLL Q9UGP5 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41

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
SCHEMBL20540210 1.00 S1PR1 (0.42) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL19764959 0.88 HTR1A (0.48) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL29625396 0.88 HTR1A (0.48) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL29625425 0.87 HTR1A (0.45) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL19764953 0.87 HTR1A (0.45) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL19764894 0.87 HTR1A (0.45) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL29625414 0.87 HTR1A (0.45) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL10362833 0.87 HTR1A (0.45) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL23961383 0.86 NR3C2 (0.41) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL9277764 0.84 POLL (0.41) S1PR1S1PR2S1PR4S1PR3S1PR5

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-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 S1PR1 1861/4885S1PR2 2393/4885S1PR4 3782/4885

“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.