SCHEMBL2462477

SCHEMBL2462477

COc1cc(N(C)C)ccc1C(=O)C=Cc1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR9 Q9NR96 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
S1PR1 P21453 13/20 0.47
S1PR3 Q99500 4/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
TNFRSF1A P19438 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL2457233 0.88 MAOB (0.48) MAPTMEN1MAPK1KMT2AS1PR1
SCHEMBL2461374 0.83 MAPT (0.42) MAPTKMT2ATLR9S1PR1S1PR3
SCHEMBL13002222 0.83 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL2459261 0.79 S1PR1 (0.47) S1PR1S1PR3ABCG2
SCHEMBL2455284 0.77 CACNA1G (0.43) S1PR1S1PR3ABCG2
SCHEMBL2456700 0.76 S1PR1 (0.44) MEN1KMT2AS1PR1S1PR3
SCHEMBL13002221 0.75 CACNA1G (0.48) S1PR1S1PR3MAOAMAOB
SCHEMBL2455792 0.75 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL2459338 0.74 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL2463975 0.73 S1PR1 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP disclosed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US disclosed
US-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1863475-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 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-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists GRK2, GRK4, GPR174 MAPT 3386/4885MEN1 3728/4885USP2 4442/4885

“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.