SCHEMBL932902

SCHEMBL932902

CC(C)Oc1ccc(CCl)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
CSNK2A1 P68400 2/20 0.44
P2RX3 P56373 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
S1PR1 P21453 12/20 0.39
S1PR5 Q9H228 3/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR4 O95977 1/20 0.39
IDO1 P14902 2/20 0.37
TRPV1 Q8NER1 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
SCHEMBL14328002 0.85 RXRA (0.57) RXRARXRBRXRGCSNK2A1P2RX3
SCHEMBL2019451 0.84 RXRA (0.59) RXRARXRBRXRGCSNK2A1P2RX3
SCHEMBL30488261 0.84 RXRA (0.59) RXRARXRBRXRGCSNK2A1P2RX3
SCHEMBL2415055 0.84 RXRA (0.59) RXRARXRBRXRGCSNK2A1P2RX3
SCHEMBL247961 0.84 CSNK2A1 (0.59) RXRARXRBRXRGCSNK2A1P2RX3
SCHEMBL26179843 0.83 RXRA (0.54) RXRARXRBRXRGCSNK2A1P2RX3
SCHEMBL31435397 0.81 TTR (0.49) S1PR1IDO1
SCHEMBL2023009 0.81 TTR (0.49) S1PR1IDO1
SCHEMBL20560237 0.79 RXRA (0.55) RXRARXRBRXRGCTSSCTSK
SCHEMBL932578 0.77 RXRA (0.40) RXRARXRBRXRGS1PR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503882-B The method for preparing S1P1 receptor modulators and its crystal form 艾尼纳制药公司 2019-07-05 CN claimed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP claimed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US claimed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO claimed
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
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
CN-105503882-B The method for preparing S1P1 receptor modulators and its crystal form 艾尼纳制药公司 2019-07-05 CN disclosed
CN-105816453-A SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS 艾尼纳制药公司 2016-08-03 CN disclosed
CN-105503882-A Processes for preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARM INC 2016-04-20 CN disclosed
CN-102197038-A Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-09-21 CN disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
EP-2342205-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals ,Inc. (US) 2011-06-30 US disclosed
WO-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO disclosed
WO-2010027431-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-11 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 (4 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-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 RXRA 782/4885RXRB 733/4885RXRG 435/4885
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 RXRA 1023/4885RXRB 1049/4885RXRG 1223/4885

“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.