SCHEMBL1014238

SCHEMBL1014238

CC(C)Oc1ccc(C(=O)Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
CSNK2A1 P68400 2/20 0.50
KMO O15229 2/20 0.47
CENPE Q02224 1/20 0.46
PDK1 Q15118 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL3940201 0.86 RORC (0.65) RORCCSNK2A1KMOCENPEPDK1
SCHEMBL403840 0.86 RORC (0.56) RORCCSNK2A1KMOCENPEKMT2A
SCHEMBL2104888 0.85 RORC (0.55) RORCCSNK2A1KMOCENPEPDK1
SCHEMBL25139527 0.85 RORC (0.55) RORCCSNK2A1KMOCENPEPDK1
SCHEMBL1015712 0.83 RORC (0.57) RORCCSNK2A1KMOCENPEPDK1
SCHEMBL1980673 0.83 CA12 (0.54) RORCCSNK2A1KMOCENPEPDK1
SCHEMBL2536671 0.83 TSHR (0.47) RORCPDK1KCNQ3KCNQ2TAS1R3
SCHEMBL1013113 0.83 MAPT (0.50) KMT2AMEN1LMNASMN1; SMN2S1PR3
SCHEMBL16951316 0.82 RORC (0.55) RORCCSNK2A1KMOCENPEPDK1
SCHEMBL7353148 0.81 PDE4B (0.54) PDK1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746254-A2 Oxadiazole derivative active on sphingosine-1-phosphate (s1p) Glaxo Group Limited (GB) 2014-06-25 EP disclosed
EP-2746254-A2 Oxadiazole derivative active on sphingosine-1-phosphate (s1p) Glaxo Group Limited (GB) 2014-06-25 EP disclosed
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
CN-1255917-A Anti-convulsant isoquinolyl-benzamide derivatives SMITHKLINE BEECHAM PLC (GB) 2000-06-07 CN disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 RORC 344/4885CSNK2A1 2260/4885KMO 3130/4885

“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.