SCHEMBL2948848

SCHEMBL2948848

Cc1cc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCCO

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.72
S1PR3 Q99500 7/20 0.71
CACNA1G O43497 6/20 0.66
CACNA1H O95180 6/20 0.66
CACNA1I Q9P0X4 6/20 0.66

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
SCHEMBL2941152 0.96 S1PR1 (0.77) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL2945539 0.92 S1PR1 (0.72) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL1384038 0.89 S1PR1 (0.74) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL4690874 0.88 S1PR1 (0.61) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL2943950 0.88 S1PR1 (0.77) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL1382315 0.88 S1PR1 (0.93) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL2947262 0.87 S1PR1 (0.64) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL2942256 0.87 S1PR1 (0.64) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL2942159 0.87 CACNA1G (0.65) S1PR1S1PR3CACNA1GCACNA1HCACNA1I
SCHEMBL2942163 0.87 CACNA1G (0.65) S1PR1S1PR3CACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 1258/4885S1PR3 1088/4885CACNA1G 3634/4885

“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.