SCHEMBL1978883

SCHEMBL1978883

CC(C)(COP(=O)(OC(C)(C)C)OC(C)(C)C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL28626698 0.79 FFAR1 (0.48) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL2984826 0.76 SMN1; SMN2 (0.32) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL21246105 0.76 TSHR (0.33) TSHR
SCHEMBL25248520 0.74 KDM4E (0.31) KDM4EFFAR1CPT2TDP1
SCHEMBL17999714 0.73 CYP2C19 (0.33) TSHRCYP2C19
SCHEMBL13104241 0.73 FFAR1 (0.42) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL1978416 0.73 CETP (0.48) TDP1TSHRCYP2C19HIF1A
SCHEMBL1455701 0.70 GRM4 (0.32)
SCHEMBL25381004 0.69 BTN3A1 (0.30)
SCHEMBL23671685 0.69 ALDH1A1 (0.50) FFAR1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550125-B2 Prodrugs of imidazotriazine compounds as CK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-04 US disclosed
US-20180305364-A1 PRODRUGS OF IMIDAZOTRIAZINE COMPOUNDS AS CK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-25 US disclosed
WO-2017070135-A1 PRODRUGS OF 2-(4-(3-((4-AMINO-7-CYANO-IMIDAZO[2,1-F][1,2,4]TRIAZIN-2-YL)AMINO)PHENYL)PIPERAZ IN-1-YL)PROPANAMIDE DERIVATIVES AS CK2 INHIBITORS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-27 WO disclosed
US-8426388-B2 Prodrugs of HIV protease inhibitors ABBVIE INC. (US) 2013-04-23 US disclosed
EP-1773850-B1 PRODRUGS OF HIV PROTEASE INHIBITORS ABBOTT LAB (US) 2013-01-30 EP disclosed
EP-2336138-A2 Prodrugs of HIV protease inhibitors ABBOTT LABORATORIES (US) 2011-06-22 EP disclosed
US-20100286032-A1 PRODRUGS OF HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7718633-B2 Prodrugs of HIV protease inhibitors ABBOTT LABORATORIES (US) 2010-05-18 US disclosed
US-20070270383-A1 Prodrugs of HIV protease inhibitors ABBVIE INC. 2007-11-22 US disclosed
EP-1773850-A2 PRODRUGS OF HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2007-04-18 EP disclosed
WO-2006014282-A2 PRODRUGS OF HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2006-02-09 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 (4 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-20180305364-A1 PRODRUGS OF IMIDAZOTRIAZINE COMPOUNDS AS CK2 INHIBITORS CSNK2A1, CSNK1A1, CSNK2A2 KDM4E 1956/4885FFAR1 1193/4885CPT2 3402/4885
US-20100286032-A1 PRODRUGS OF HIV PROTEASE INHIBITORS PREP, PEPD, SERPINB1 KDM4E 2100/4885FFAR1 3151/4885CPT2 4615/4885
US-20070270383-A1 Prodrugs of HIV protease inhibitors PREP, PEPD, SERPINB1 KDM4E 2100/4885FFAR1 3151/4885CPT2 4615/4885
US-10550125-B2 Prodrugs of imidazotriazine compounds as CK2 inhibitors CSNK1A1, CSNK2A1, CSNK2A2 KDM4E 1618/4885FFAR1 1052/4885CPT2 3199/4885

“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.