SCHEMBL2461374

SCHEMBL2461374

Cc1sc(C=CC(=O)c2ccc(N(C)C)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAOB P27338 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TLR9 Q9NR96 1/20 0.41
CACNA1G O43497 3/20 0.41
CACNA1H O95180 3/20 0.41
CACNA1I Q9P0X4 3/20 0.41
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 1/20 0.39
CYP3A4 P08684 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
SCHEMBL2454122 0.88 CACNA1G (0.43) MAPTRAB9AKMT2AMAOBCACNA1G
SCHEMBL2462477 0.83 MAPT (0.48) MAPTKMT2AMAOBTLR9S1PR1
SCHEMBL2454104 0.82 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2458999 0.82 S1PR1 (0.52) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL13002221 0.81 CACNA1G (0.48) MAOBCACNA1GCACNA1HCACNA1IS1PR1
SCHEMBL2462250 0.81 S1PR1 (0.42) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2454794 0.81 S1PR1 (0.45) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2454474 0.80 S1PR1 (0.41) CACNA1GCACNA1HCACNA1IS1PR1S1PR3
SCHEMBL2459261 0.79 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL3772219 0.78 S1PR1 (0.47) NPC1CACNA1GCACNA1HCACNA1IS1PR1

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 3386/4885NPC1 1267/4885RAB9A 792/4885

“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.