SCHEMBL2562444

SCHEMBL2562444

COc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)cc1OC

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.85
S1PR4 O95977 1/20 0.63
S1PR5 Q9H228 1/20 0.63
TPH1 P17752 2/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
NPC1 O15118 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL2565941 0.94 S1PR1 (0.81) S1PR1S1PR4S1PR5TPH1MAPT
SCHEMBL2565292 0.94 S1PR1 (0.82) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2562762 0.93 S1PR1 (0.80) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2562589 0.93 S1PR1 (0.80) S1PR1S1PR4S1PR5TPH1S1PR3
SCHEMBL2562047 0.93 S1PR1 (0.77) S1PR1S1PR4S1PR5TPH1S1PR3
SCHEMBL2568350 0.92 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2566950 0.91 S1PR1 (0.77) S1PR1S1PR4S1PR5
SCHEMBL2565312 0.91 S1PR1 (0.77) S1PR1S1PR4S1PR5TPH1TLR9
SCHEMBL2564292 0.90 S1PR1 (0.70) S1PR1S1PR4S1PR5TPH1MAPT
SCHEMBL2564707 0.90 S1PR1 (0.88) S1PR1S1PR4S1PR5MAPTSMN1; SMN2

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 11 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 claimed
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 claimed
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 claimed
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 claimed
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
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
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
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.