SCHEMBL2453985

SCHEMBL2453985

C[C@@]1(c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c2)COC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.36
CHRM1 P11229 4/20 0.35
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
DRD4 P21917 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTR1D P28221 5/20 0.33
HTR1A P08908 4/20 0.33
HTR1B P28222 4/20 0.33
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
PPARG P37231 1/20 0.30

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
SCHEMBL2453988 1.00 HSD11B1 (0.41) HSD11B1LMNACHRM1DRD2DRD3
SCHEMBL2452583 0.81 LMNA (0.53) LMNACA1
SCHEMBL2449031 0.77 APP (0.39) LMNA
SCHEMBL2449799 0.77 APP (0.39) LMNA
SCHEMBL2449323 0.76 APP (0.33) LMNA
SCHEMBL2447605 0.75 HSP90AA1 (0.41) LMNACA1
SCHEMBL2456882 0.74 LMNA (0.34) LMNA
SCHEMBL2777193 0.74 MAOA (0.32) LMNA
SCHEMBL2453431 0.74 MAOA (0.32) LMNA
SCHEMBL2776386 0.74 LMNA (0.35) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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 (2 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 HSD11B1 2194/4885LMNA 3016/4885CHRM1 2327/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 HSD11B1 4117/4885LMNA 2435/4885CHRM1 2055/4885

“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.