SCHEMBL23628683

SCHEMBL23628683

CC(C)(C)[Si](C)(C)OCc1ccc(C2CCC(=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.35
S1PR3 Q99500 6/20 0.35
NOTUM Q6P988 2/20 0.35
S1PR4 O95977 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL23628700 0.80 S1PR1 (0.37) S1PR1S1PR3S1PR4ADORA3S1PR5
SCHEMBL23628680 0.80 S1PR1 (0.36) S1PR1S1PR3S1PR4ADORA3S1PR5
SCHEMBL23628689 0.78 NOTUM (0.36) S1PR1S1PR3NOTUMS1PR4ADORA3
SCHEMBL8990263 0.76 S1PR1 (0.42) S1PR1S1PR3NOTUMS1PR4ADORA3
SCHEMBL23628696 0.75 AR (0.35) S1PR1S1PR3S1PR4S1PR5
SCHEMBL11920525 0.74 ESR2 (0.47)
SCHEMBL23628692 0.71 IDO1 (0.41) NOTUM
SCHEMBL2502580 0.69 IDO1 (0.38) NOTUM
SCHEMBL2037857 0.68 NOTUM (0.39) S1PR1NOTUM
SCHEMBL13163540 0.68 CA12 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555015-B2 Compounds useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2023-01-17 US disclosed
US-20210340104-A1 COMPOUNDS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
EP-3847158-A1 COMPOUNDS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2021-07-14 EP disclosed
CN-112955431-A Compounds useful for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-06-11 CN 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-11555015-B2 Compounds useful in the treatment of autoimmune and inflammatory disorders S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR3 3/4885NOTUM 2014/4885
US-20210340104-A1 COMPOUNDS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR3 3/4885NOTUM 2014/4885

“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.