SCHEMBL2778435

SCHEMBL2778435

CC(N)(CO)c1ccc2cc(Oc3ccc(F)c(F)c3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.41
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAP4K4 O95819 1/20 0.34
ESR1 P03372 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL2455454 1.00 SOS1 (0.41) SOS1SLC1A3SLC1A2SLC1A1HTR2A
SCHEMBL2451942 0.87 SOS1 (0.45) SOS1HTR2ASLC6A4HIF1AMAPK14
SCHEMBL2778715 0.87 SOS1 (0.45) SOS1HTR2ASLC6A4HIF1AMAPK14
SCHEMBL2449524 0.86 SOS1 (0.44) SOS1SLC1A3SLC1A2SLC1A1HTR2A
SCHEMBL2779843 0.85 VEGFA (0.36) MAOBFFAR4NPC1MAPTRAB9A
SCHEMBL2455438 0.85 VEGFA (0.36) MAOBFFAR4NPC1MAPTRAB9A
SCHEMBL2451241 0.84 MAPK14 (0.41) HTR2ASLC6A4MAOBS1PR1S1PR3
SCHEMBL2776241 0.84 PDE4A (0.41) SLC6A4NPC1MAPTRAB9AALDH1A1
SCHEMBL2774910 0.84 MAPK14 (0.41) HTR2ASLC6A4MAOBS1PR1S1PR3
SCHEMBL2451413 0.84 PDE4A (0.41) SLC6A4NPC1MAPTRAB9AALDH1A1

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
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
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
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US 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 SOS1 311/4885SLC1A3 3084/4885SLC1A2 3590/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 SOS1 246/4885SLC1A3 2770/4885SLC1A2 3096/4885

“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.