SCHEMBL209963

SCHEMBL209963

CCOC(=O)C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
HCRTR2 O43614 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC6A2 P23975 1/20 0.31
TBXAS1 P24557 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31
KCNH2 Q12809 1/20 0.31
GLA P06280 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
SCHEMBL4625837 1.00 SPHK1 (0.45) SPHK1BRD4L3MBTL1HCRTR2HCAR2
SCHEMBL3086684 1.00 SPHK1 (0.45) SPHK1BRD4L3MBTL1HCRTR2HCAR2
SCHEMBL5369635 1.00 SPHK1 (0.45) SPHK1BRD4L3MBTL1HCRTR2HCAR2
SCHEMBL3310633 1.00 SPHK1 (0.45) SPHK1BRD4L3MBTL1HCRTR2HCAR2
SCHEMBL209962 1.00 SPHK1 (0.45) SPHK1BRD4L3MBTL1HCRTR2HCAR2
SCHEMBL8252763 0.89 SPHK1 (0.44) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL6917878 0.86 SPHK1 (0.42) SPHK1BRD4HCRTR2HCAR2CHRM2
SCHEMBL15612852 0.86 SPHK1 (0.42) SPHK1BRD4HCRTR2HCAR2CHRM2
SCHEMBL13964507 0.86 SPHK1 (0.42) SPHK1BRD4HCRTR2HCAR2CHRM2
SCHEMBL14817858 0.85 SPHK1 (0.47) SPHK1BRD4HCRTR2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267356-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2022-08-25 US disclosed
EP-4004004-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF AstraZeneca AB (SE) 2022-06-01 EP disclosed
WO-2021014380-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2021-01-28 WO disclosed
EP-1864982-B1 TRIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2012-10-24 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US 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 (9 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 SPHK1 2861/4885BRD4 358/4885L3MBTL1 1124/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL SPHK1 4315/4885BRD4 460/4885L3MBTL1 1698/4885
US-20220267356-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ARG1, ARG2, PRMT1 SPHK1 2193/4885BRD4 1485/4885L3MBTL1 2277/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 SPHK1 3446/4885BRD4 426/4885L3MBTL1 985/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SPHK1 3139/4885BRD4 398/4885L3MBTL1 309/4885
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 SPHK1 3299/4885BRD4 1730/4885L3MBTL1 4018/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SPHK1 4398/4885BRD4 888/4885L3MBTL1 1605/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SPHK1 3186/4885BRD4 481/4885L3MBTL1 297/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 SPHK1 3299/4885BRD4 1730/4885L3MBTL1 4018/4885

“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.