SCHEMBL1384374

SCHEMBL1384374

Cc1sc(C(=O)CCc2ccc(OC[C@@H](O)CO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.79
S1PR3 Q99500 17/20 0.79

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
SCHEMBL4684061 1.00 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4690552 0.93 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL4686775 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL2947425 0.92 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL2459159 0.91 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL4689385 0.90 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4687130 0.90 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL2942033 0.89 S1PR1 (0.84) S1PR1S1PR3
SCHEMBL2943701 0.89 S1PR1 (0.84) S1PR1S1PR3
SCHEMBL4685937 0.88 S1PR1 (1.00) 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 11 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
EP-1899336-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP disclosed
US-20080064740-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2008-03-13 US disclosed
WO-2007006716-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 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 1258/4885S1PR3 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.