SCHEMBL2567289

SCHEMBL2567289

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
FDPS P14324 1/20 0.36
XDH P47989 2/20 0.34
ESRRA P11474 4/20 0.34
AOX1 Q06278 1/20 0.34
POLB P06746 1/20 0.33
TTR P02766 1/20 0.33
AR P10275 2/20 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
SCHEMBL3947415 0.86 ALDH1A1 (0.41) ALDH1A1TSHRS1PR1S1PR3S1PR5
SCHEMBL10088908 0.86 ALDH1A1 (0.41) ALDH1A1TSHRS1PR1S1PR3S1PR5
SCHEMBL7136688 0.80 ALDH1A1 (0.43) ALDH1A1TSHRS1PR1FDPSESRRA
SCHEMBL10088423 0.80 XDH (0.51) ALDH1A1TSHRFDPSXDH
SCHEMBL6899726 0.77 ALDH1A1 (0.47) ALDH1A1TSHRFDPSAOX1TTR
SCHEMBL1015515 0.77 FDPS (0.42) ALDH1A1TSHRS1PR1S1PR3S1PR5
SCHEMBL402072 0.75 XDH (0.46) ALDH1A1TSHRS1PR1S1PR3S1PR5
SCHEMBL399131 0.75 XDH (0.46) ALDH1A1TSHRS1PR1S1PR3S1PR5
SCHEMBL12729904 0.75 ALDH1A1 (0.39) ALDH1A1TSHRFDPSESRRAAOX1
SCHEMBL2562849 0.75 ALDH1A1 (0.51) ALDH1A1S1PR1S1PR3S1PR5XDH

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 ALDH1A1 592/4885TSHR 374/4885S1PR1 1/4885

“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.