SCHEMBL2568060

SCHEMBL2568060

CC(C)OC(=O)c1cc(OC(C)C)cc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
FFAR4 Q5NUL3 1/20 0.43
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KMT2A Q03164 3/20 0.38
PTPN11 Q06124 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL1817014 0.88 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL2563350 0.86 KMT2A (0.50) FFAR4FAAHEPHX2KMT2AALDH1A1
SCHEMBL16729318 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16726998 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL15054077 0.78 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL16483004 0.76 FFAR4 (0.40) FFAR4KCNK3KCNK9
SCHEMBL17125230 0.75 FFAR4 (0.39) FFAR4KCNK3KCNK9ALDH1A1
SCHEMBL17687448 0.75 FFAR4 (0.39) CA1CA2CA7CA9FFAR4
SCHEMBL17069259 0.75 FFAR4 (0.39) FFAR4ALDH1A1
SCHEMBL16962130 0.75 FFAR4 (0.39) FFAR4KCNK3KCNK9ALDH1A1

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 5 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
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN 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 CA12 4479/4885CA1 3384/4885CA2 3600/4885

“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.