SCHEMBL2569367

SCHEMBL2569367

CCOC(=O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(OC)cc(C(F)(F)F)c4)n3)cc21

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.71
S1PR4 O95977 1/20 0.58
S1PR5 Q9H228 1/20 0.58
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL2564330 0.91 S1PR1 (0.73) S1PR1S1PR4S1PR5KMT2ACYP11B1
SCHEMBL2567601 0.91 S1PR1 (0.73) S1PR1S1PR4S1PR5CYP11B1CYP11B2
SCHEMBL2567901 0.91 S1PR1 (0.85) S1PR1S1PR4S1PR5
SCHEMBL2559277 0.89 S1PR1 (0.69) S1PR1S1PR4S1PR5NR1H4CYP11B1
SCHEMBL2567772 0.86 S1PR1 (0.64) S1PR1S1PR4S1PR5KMT2ACYP11B1
SCHEMBL2564201 0.86 S1PR1 (0.68) S1PR1S1PR4S1PR5KMT2ACYP11B1
SCHEMBL2565306 0.86 S1PR1 (0.65) S1PR1S1PR4S1PR5KMT2A
SCHEMBL2559354 0.86 S1PR1 (0.68) S1PR1S1PR4S1PR5KMT2ACYP11B1
SCHEMBL2567689 0.86 S1PR1 (0.62) S1PR1S1PR4S1PR5KMT2ACYP11B1
SCHEMBL2567213 0.85 S1PR1 (0.64) S1PR1S1PR4S1PR5KMT2ACYP11B1

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.