SCHEMBL2455035

SCHEMBL2455035

CCc1ccc(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 2/20 0.42
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CHEK2 O96017 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL2779109 1.00 S1PR1 (0.42) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2457235 0.88 NPC1 (0.42) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2455599 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL2451911 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL2777100 0.85 TEAD4 (0.42) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2449870 0.85 TEAD4 (0.42) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2449767 0.85 PTGS2 (0.35) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL2449764 0.85 PTGS2 (0.35) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL2774910 0.84 MAPK14 (0.41) S1PR1S1PR3NPC1RAB9AMAPT
SCHEMBL2451241 0.84 MAPK14 (0.41) S1PR1S1PR3NPC1RAB9AMAPT

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 9 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
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 S1PR1 1/4885S1PR3 2/4885NPC1 365/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885NPC1 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.