SCHEMBL2989688

SCHEMBL2989688

CC(C)(C)OC(=O)N1CCCc2cc(C(=N)NO)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.58
ESR2 Q92731 1/20 0.56
HDAC8 Q9BY41 4/20 0.49
NR1H2 P55055 1/20 0.49
HDAC1 Q13547 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.41
USP30 Q70CQ3 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL2124902 0.93 ESR2 (0.65) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL24038582 0.88 HDAC1 (0.59) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL30090292 0.88 HDAC1 (0.59) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL2120817 0.86 HDAC6 (0.54) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL1263486 0.85 ESR2 (0.59) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL1649493 0.81 NR1H2 (0.62) HDAC6ESR2NR1H2HDAC1NPC1
SCHEMBL1263385 0.81 ESR2 (0.63) HDAC6ESR2NR1H2HDAC1NPC1
SCHEMBL2994022 0.81 RIPK1 (0.43) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL2988550 0.81 ESR2 (0.46) HDAC6ESR2HDAC8NR1H2HDAC1
SCHEMBL15196524 0.80 ESR2 (0.56) HDAC6ESR2HDAC8NR1H2HDAC1

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-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
US-20100174065-A1 COMPOUNDS GLAXO GROUP LIMITED (US) 2010-07-08 US disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 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-20100174065-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 HDAC6 115/4885ESR2 579/4885HDAC8 804/4885
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 HDAC6 531/4885ESR2 1891/4885HDAC8 679/4885

“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.