SCHEMBL1383646

SCHEMBL1383646

CCc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 16/20 0.88

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
SCHEMBL4683387 0.96 S1PR1 (0.92) S1PR1S1PR3
SCHEMBL2458596 0.94 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2949831 0.90 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2946074 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2455511 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2940099 0.88 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL2942912 0.88 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL13237037 0.88 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL4687462 0.88 S1PR1 (0.86) S1PR1S1PR3
SCHEMBL4685017 0.88 S1PR1 (0.79) S1PR1S1PR3

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 9 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
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

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 1258/4885S1PR3 1088/4885

“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.