SCHEMBL4627950

SCHEMBL4627950

C[C@H](CCO)C1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
NR1H2 P55055 2/20 0.35
BRD4 O60885 1/20 0.35
HCRTR2 O43614 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
NR1H3 Q13133 2/20 0.31
HSD11B2 P80365 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL4627954 1.00 SPHK1 (0.47) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL4627956 1.00 SPHK1 (0.47) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL31526459 0.88 SPHK1 (0.43) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL12396343 0.86 SPHK1 (0.50) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL18878400 0.86 SPHK1 (0.50) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL31526495 0.86 SPHK1 (0.44) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL31526350 0.85 SPHK1 (0.42) SPHK1NR1H2BRD4HCRTR2HSD11B2
SCHEMBL14275174 0.85 SPHK1 (0.47) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL31526810 0.84 SPHK1 (0.47) SPHK1NR1H2BRD4HCRTR2CHRM2
SCHEMBL31526587 0.84 SPHK1 (0.43) SPHK1NR1H2BRD4HCRTR2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 SPHK1 3299/4885NR1H2 4102/4885BRD4 1730/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 SPHK1 3299/4885NR1H2 4102/4885BRD4 1730/4885

“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.