SCHEMBL2994022

SCHEMBL2994022

CC(C)(C)OC(=O)N1CCOc2ccc(C(=N)NO)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
ESR2 Q92731 1/20 0.43
USP30 Q70CQ3 1/20 0.43
NR1H2 P55055 1/20 0.42
HDAC1 Q13547 1/20 0.41
PIK3CA P42336 4/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
CREBBP Q92793 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL2988550 0.92 ESR2 (0.46) RIPK1ESR2USP30NR1H2HDAC1
SCHEMBL2727759 0.85 RIPK1 (0.47) RIPK1ESR2USP30NR1H2PIK3CA
SCHEMBL3762084 0.85 RIPK1 (0.47) RIPK1ESR2USP30NR1H2PIK3CA
SCHEMBL2124902 0.82 ESR2 (0.65) ESR2NR1H2HDAC1MAPK1LMNA
SCHEMBL6126393 0.82 MEN1 (0.48) RIPK1ESR2USP30NR1H2PIK3CA
SCHEMBL856288 0.82 RIPK1 (0.48) RIPK1ESR2USP30NR1H2HDAC1
SCHEMBL30405260 0.82 RIPK1 (0.48) RIPK1ESR2USP30NR1H2HDAC1
SCHEMBL24038582 0.82 HDAC1 (0.59) ESR2NR1H2HDAC1PIK3CAMAPK1
SCHEMBL30090292 0.82 HDAC1 (0.59) ESR2NR1H2HDAC1PIK3CAMAPK1
SCHEMBL3755366 0.82 RIPK1 (0.47) RIPK1ESR2USP30NR1H2PIK3CA

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 RIPK1 4017/4885ESR2 579/4885USP30 3410/4885
US-20100273771-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 RIPK1 554/4885ESR2 1891/4885USP30 4445/4885

“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.