SCHEMBL2565760

SCHEMBL2565760

CCOC(=O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4ccc(OC)c(S(C)(=O)=O)c4)n3)cc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.64
S1PR4 O95977 1/20 0.48
S1PR5 Q9H228 1/20 0.48
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.39
TLR8 Q9NR97 7/20 0.39
TLR7 Q9NYK1 7/20 0.39
TLR9 Q9NR96 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2565029 0.92 S1PR1 (0.66) S1PR1S1PR4S1PR5
SCHEMBL2564292 0.92 S1PR1 (0.70) S1PR1S1PR4S1PR5KMT2AHTT
SCHEMBL2565312 0.91 S1PR1 (0.77) S1PR1S1PR4S1PR5TLR8TLR7
SCHEMBL2565808 0.90 S1PR1 (0.68) S1PR1S1PR4S1PR5KMT2AHTT
SCHEMBL2564246 0.89 S1PR1 (0.67) S1PR1S1PR4S1PR5KMT2AHTT
SCHEMBL2567396 0.89 S1PR1 (0.67) S1PR1S1PR4S1PR5KMT2AHTT
SCHEMBL2564625 0.88 S1PR1 (0.69) S1PR1S1PR4S1PR5KMT2AHTT
SCHEMBL2565308 0.88 S1PR1 (0.83) S1PR1S1PR4S1PR5
SCHEMBL2562337 0.87 S1PR1 (0.58) S1PR1S1PR4S1PR5KMT2AHTT
SCHEMBL2567772 0.87 S1PR1 (0.64) S1PR1S1PR4S1PR5KMT2A

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
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 5/4885S1PR5 4/4885

“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.