SCHEMBL2455438

SCHEMBL2455438

C[C@](N)(CO)c1ccc2cc(Oc3cc(F)cc(F)c3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 2/20 0.36
EGLN1 Q9GZT9 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
HIF1A Q16665 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SCN9A Q15858 1/20 0.32
MAOB P27338 2/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL2779843 1.00 VEGFA (0.36) VEGFAEGLN1NPC1MAPTRAB9A
SCHEMBL2452036 0.86 RAB9A (0.36) VEGFAEGLN1NPC1MAPTRAB9A
SCHEMBL2455454 0.85 SOS1 (0.41) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2778435 0.85 SOS1 (0.41) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2452799 0.84 ALDH1A1 (0.46) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2778278 0.84 ALDH1A1 (0.46) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2451413 0.84 PDE4A (0.41) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2776241 0.84 PDE4A (0.41) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2451911 0.83 RAB9A (0.51) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL2455599 0.83 RAB9A (0.51) NPC1MAPTRAB9AALDH1A1HPGD

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 11 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
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO 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
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 VEGFA 4251/4885EGLN1 2061/4885NPC1 365/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 VEGFA 4851/4885EGLN1 2509/4885NPC1 1038/4885

“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.