SCHEMBL2563033

SCHEMBL2563033

N#Cc1cc(C(=O)Cl)ccc1OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 4/20 0.42
S1PR5 Q9H228 2/20 0.42
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
XDH P47989 3/20 0.38
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOS2 P35228 1/20 0.34
TRPA1 O75762 1/20 0.33
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL2562849 0.87 ALDH1A1 (0.51) S1PR1S1PR3S1PR5ALDH1A1HPGD
SCHEMBL1016450 0.81 XDH (0.55) S1PR1S1PR3ALDH1A1HPGDXDH
SCHEMBL31470463 0.81 XDH (0.55) S1PR1S1PR3ALDH1A1HPGDXDH
SCHEMBL2564763 0.81 ALDH1A1 (0.41) S1PR1ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL13082394 0.78 ALDH1A1 (0.43) S1PR1S1PR3ALDH1A1HPGDKDM4E
SCHEMBL30950126 0.78 ALDH1A1 (0.43) S1PR1S1PR3ALDH1A1HPGDKDM4E
SCHEMBL10323614 0.76 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ECYP1A2GLA
SCHEMBL13678299 0.75 S1PR1 (0.39) S1PR1S1PR3S1PR5ALDH1A1XDH
SCHEMBL2567289 0.74 ALDH1A1 (0.40) S1PR1S1PR3S1PR5ALDH1A1XDH
SCHEMBL1794470 0.74 ALDH1A1 (0.52) S1PR1S1PR3S1PR5ALDH1A1HPGD

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 1/4885S1PR3 2/4885S1PR5 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.