SCHEMBL2480228

SCHEMBL2480228

CC(C)(C)OC(=O)NC1(c2ccc3cc(OCc4ccccc4)ccc3c2)COC(C)(C)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ALOX5 P09917 2/20 0.40
MAOB P27338 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 2/20 0.38
APP P05067 1/20 0.38
SRD5A2 P31213 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
MAOA P21397 1/20 0.38
HDAC1 Q13547 1/20 0.37
SLC16A3 O15427 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2477735 0.92 PTPN1 (0.36) PTPN1ALOX5MAOBCASP3SENP8
SCHEMBL12344365 0.85 THRA (0.36) MAOBMAOAMEN1KMT2A
SCHEMBL2777969 0.84 KLK7 (0.33) PTPN1RAB9AMAPTAPPMEN1
SCHEMBL2482763 0.84 KLK7 (0.33) PTPN1RAB9AMAPTAPPMEN1
SCHEMBL13851998 0.84 CYP2C9 (0.36)
SCHEMBL2480740 0.83 NQO2 (0.37) NPC1RAB9AMAPTMEN1HSP90AA1
SCHEMBL92966 0.83 PTGER1 (0.42)
SCHEMBL2453428 0.81 HSD11B1 (0.40) MAPT
SCHEMBL2775817 0.77 NPC1L1 (0.33)
SCHEMBL2775819 0.77 NPC1L1 (0.33)

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 6 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

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 PTPN1 713/4885ALOX5 2821/4885MAOB 3559/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 PTPN1 1172/4885ALOX5 3814/4885MAOB 4219/4885

“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.