SCHEMBL402684

SCHEMBL402684

CC(C)OC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
NOTUM Q6P988 1/20 0.46
S1PR3 Q99500 5/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL24860963 0.88 NOTUM (0.60) RXRARXRBRXRGCA12CA1
SCHEMBL30440283 0.85 RXRA (0.54) RXRARXRBRXRGNOTUMS1PR3
SCHEMBL17386570 0.85 RXRA (0.54) RXRARXRBRXRGNOTUMS1PR3
SCHEMBL403300 0.85 RXRA (0.58) RXRARXRBRXRGCA12CA1
SCHEMBL17664021 0.84 RXRA (0.53) RXRARXRBRXRGNOTUMS1PR3
SCHEMBL28035308 0.81 RXRA (0.54) RXRARXRBRXRGS1PR3NPC1
SCHEMBL1092306 0.80 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2544970 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1964098 0.78 RXRA (0.45) RXRARXRBRXRGNOTUMS1PR3
SCHEMBL3954181 0.78 RXRA (0.47) RXRARXRBRXRGS1PR3

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555015-B2 Compounds useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2023-01-17 US disclosed
US-20210340104-A1 COMPOUNDS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
CN-109956912-B Carboxylic acid compound containing diphenyl oxadiazole, preparation method and medical application thereof 中国医学科学院药物研究所 2021-10-22 CN disclosed
EP-3847158-A1 COMPOUNDS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2021-07-14 EP disclosed
CN-112955431-A Compounds useful for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-06-11 CN disclosed
CN-105816453-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-03-05 CN disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
CN-109956912-A Carboxylic acid compound, preparation method and the medical usage of the oxadiazoles containing diphenyl 中国医学科学院药物研究所 2019-07-02 CN disclosed
CN-102197038-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2016-04-20 CN disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (3 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-11555015-B2 Compounds useful in the treatment of autoimmune and inflammatory disorders S1PR1, S1PR5, S1PR3 RXRA 669/4885RXRB 736/4885RXRG 868/4885
US-20210340104-A1 COMPOUNDS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 RXRA 669/4885RXRB 736/4885RXRG 868/4885
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 RXRA 2012/4885RXRB 1371/4885RXRG 1820/4885

“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.