SCHEMBL1383402

SCHEMBL1383402

COc1ccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 1.00
CACNA1G O43497 7/20 0.67
CACNA1H O95180 7/20 0.67
CACNA1I Q9P0X4 7/20 0.67
S1PR3 Q99500 3/20 0.66
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2947553 0.94 S1PR1 (0.88) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2943601 0.94 S1PR1 (0.88) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2948150 0.93 S1PR1 (1.00) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2943358 0.92 S1PR1 (0.89) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2951221 0.92 S1PR1 (0.84) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2946083 0.92 S1PR1 (0.94) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2944809 0.92 S1PR1 (0.91) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2944012 0.92 S1PR1 (0.84) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL4687480 0.91 S1PR1 (0.82) S1PR1CACNA1GCACNA1HCACNA1IS1PR3
SCHEMBL2947804 0.91 S1PR1 (0.82) S1PR1CACNA1GCACNA1HCACNA1IS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4807884-B2 2011-11-02 JP claimed
US-7750040-B2 G protein-coupled receptor S1P1/EDG1 agonists; low dosage, long lasting immunosuppressive effect; such as 1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalene-4-carboxylic acid 2,4-dimethoxy-benzylamide ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-06 US claimed
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
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO claimed
US-7750040-B2 G protein-coupled receptor S1P1/EDG1 agonists; low dosage, long lasting immunosuppressive effect; such as 1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalene-4-carboxylic acid 2,4-dimethoxy-benzylamide ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-06 US disclosed
US-7750040-B2 G protein-coupled receptor S1P1/EDG1 agonists; low dosage, long lasting immunosuppressive effect; such as 1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalene-4-carboxylic acid 2,4-dimethoxy-benzylamide ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-06 US disclosed
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 disclosed
US-20080064740-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2008-03-13 US disclosed
US-20080064740-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2008-03-13 US disclosed
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS 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 (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-20080064740-A1 Novel Thiophene Derivatives TPMT, TSLP, NFATC1 S1PR1 1258/4885CACNA1G 3634/4885CACNA1H 3662/4885

“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.