SCHEMBL2019451

SCHEMBL2019451

CC(C)Oc1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
S1PR1 P21453 11/20 0.42
AR P10275 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
S1PR5 Q9H228 3/20 0.41
S1PR3 Q99500 2/20 0.41
P2RX3 P56373 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CSNK2A1 P68400 2/20 0.41
KIF11 P52732 1/20 0.41
KCNH2 Q12809 1/20 0.40
S1PR4 O95977 1/20 0.39

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
SCHEMBL30488261 1.00 RXRA (0.59) RXRARXRBRXRGS1PR1AR
SCHEMBL2328507 0.88 RXRA (0.47) RXRARXRBRXRGS1PR1AR
SCHEMBL14328002 0.85 RXRA (0.57) RXRARXRBRXRGS1PR1CTSS
SCHEMBL26291337 0.85 RXRA (0.44) RXRARXRBRXRGS1PR1AR
SCHEMBL932902 0.84 RXRA (0.56) RXRARXRBRXRGS1PR1CTSS
SCHEMBL2415055 0.84 RXRA (0.59) RXRARXRBRXRGS1PR1CTSS
SCHEMBL247961 0.84 CSNK2A1 (0.59) RXRARXRBRXRGS1PR1CTSS
SCHEMBL26179843 0.83 RXRA (0.54) RXRARXRBRXRGS1PR1CTSS
SCHEMBL10088920 0.83 RXRA (0.42) RXRARXRBRXRGS1PR1AR
SCHEMBL1437536 0.81 S1PR1 (0.58) RXRARXRBRXRGS1PR1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884064-A Process for preparing S1P1 receptor modulators and crystalline forms thereof ARENA PHARM INC 2013-01-16 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-20240376048-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2024-11-14 US disclosed
EP-4444697-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-10-16 EP disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
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-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-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP 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-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 (5 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-20240376048-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, S1PR2, LPAR5 RXRA 2022/4885RXRB 1684/4885RXRG 1591/4885
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.