SCHEMBL1014655

SCHEMBL1014655

CC(C)(C)OC(=O)CCc1nccc2c(C(=N)NO)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.33
CXCR4 P61073 1/20 0.33
ACHE P22303 1/20 0.32
NR1D1 P20393 1/20 0.32
KMT2A Q03164 3/20 0.32
CNR2 P34972 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CNR1 P21554 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
PSMD14 O00487 1/20 0.32
FAP Q12884 1/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
SSTR1 P30872 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL1014656 0.83 ALDH1A1 (0.36) KMT2ACNR2NPC1RAB9ACNR1
SCHEMBL1014605 0.82 SSTR4 (0.41) SSTR4CXCR4ACHEKMT2ANPC1
SCHEMBL11983818 0.81 AURKA (0.32) SSTR4CXCR4NR1D1KMT2ANPC1
SCHEMBL1014258 0.79 CYP1A2 (0.41) CNR1LMNA
SCHEMBL1013043 0.77 SLC22A12 (0.39)
SCHEMBL1015274 0.75 DUT (0.30)
SCHEMBL669477 0.72 PKM (0.45) KMT2APOLBLMNAMEN1HTT
SCHEMBL27649494 0.70 ALDH1A1 (0.35) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL2132851 0.69 CYP4F2 (0.42) RAB9A
SCHEMBL1445918 0.68 PDE10A (0.40) SSTR4RAB9ASSTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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 (1 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 SSTR4 2703/4885CXCR4 2091/4885ACHE 308/4885

“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.