SCHEMBL2343541

SCHEMBL2343541

Cc1sc(C(=O)O)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.57
CACNA1H O95180 5/20 0.57
CACNA1I Q9P0X4 5/20 0.57
S1PR1 P21453 15/20 0.56
S1PR3 Q99500 8/20 0.56

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
SCHEMBL12332737 1.00 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL12332775 0.88 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2453915 0.88 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2343926 0.86 CACNA1G (0.56) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL12391720 0.86 CACNA1G (0.56) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2944380 0.84 S1PR1 (0.58) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL12332593 0.82 S1PR1 (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2455973 0.82 S1PR1 (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL12332735 0.81 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2453927 0.81 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP claimed
US-20080064740-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2008-03-13 US claimed
EP-1805163-A2 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA¬A|PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-07-11 EP claimed
WO-2006010544-A2 1, 1A, 5, 5A-TETRAHYDRO-3-THIA-CYCLOPROPA’A! PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-02-02 WO claimed
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US disclosed
US-8178562-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2012-05-15 US disclosed
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
EP-1863475-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
EP-1805163-A2 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA¬A|PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-07-11 EP disclosed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO disclosed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO disclosed
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO disclosed
WO-2006010544-A2 1, 1A, 5, 5A-TETRAHYDRO-3-THIA-CYCLOPROPA’A! PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-02-02 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 CACNA1G 1905/4885CACNA1H 2180/4885CACNA1I 1822/4885
US-20080064740-A1 Novel Thiophene Derivatives TPMT, TSLP, NFATC1 CACNA1G 3634/4885CACNA1H 3662/4885CACNA1I 3613/4885
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES NFATC1, TPMT, CD47 CACNA1G 3195/4885CACNA1H 3220/4885CACNA1I 3050/4885

“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.