SCHEMBL2115820

SCHEMBL2115820

CC(C)(C)OC(=O)N1CCc2ccc(-c3nccs3)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.57
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
DTYMK P23919 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CNR1 P21554 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
SCHEMBL31164722 0.94 ESR2 (0.60) GPR119ESR2NR1H2ABL1BCR
SCHEMBL3873025 0.86 GPR119 (0.54) GPR119ESR2NR1H2ABL1BCR
SCHEMBL28433714 0.83 GPR119 (0.49) GPR119NPC1RAB9AABL1BCR
SCHEMBL2117576 0.81 ESR2 (0.48) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5453239 0.80 ESR2 (0.55) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL22910917 0.80 MAPT (0.49) GPR119ESR2NR1H2ABL1BCR
SCHEMBL12296159 0.79 GPR119 (0.47) GPR119ESR2NR1H2POLBDTYMK
SCHEMBL4763630 0.78 ESR2 (0.50) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5467960 0.77 ESR2 (0.68) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL3486318 0.75 GPR119 (0.68) GPR119HRH3PTPN2PTPN1PTPN6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443112-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
US-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-04-19 US disclosed
US-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-04-19 US disclosed
US-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-04-19 US disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 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-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR5, S1PR2 GPR119 24/4885ESR2 1161/4885NR1H2 32/4885

“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.