SCHEMBL2563350

SCHEMBL2563350

CC(C)Oc1cc(OC(F)(F)F)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
FFAR4 Q5NUL3 1/20 0.46
AURKA O14965 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GCK P35557 9/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
WDR5 P61964 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR139 Q6DWJ6 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
SCHEMBL151012 0.86 KMT2A (0.64) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL31550001 0.86 AURKA (0.56) KMT2AAURKATPX2ALDH1A1WDR5
SCHEMBL2568060 0.86 CA12 (0.49) KMT2AFFAR4ALDH1A1FAAHEPHX2
SCHEMBL23411501 0.85 AURKA (0.47) AURKATPX2ALDH1A1WDR5MRGPRX4
SCHEMBL29728803 0.85 AURKA (0.47) AURKATPX2ALDH1A1WDR5MRGPRX4
SCHEMBL1793221 0.83 KMT2A (0.49) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL475754 0.82 AURKA (0.56) KMT2AAURKATPX2ALDH1A1WDR5
SCHEMBL17060010 0.82 KMT2A (0.64) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL18890162 0.81 RXRA (0.50) FFAR4AURKATPX2RXRAWDR5
SCHEMBL29394747 0.81 RXRA (0.50) FFAR4AURKATPX2RXRAWDR5

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 KMT2A 3974/4885FFAR4 35/4885AURKA 2045/4885

“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.