SCHEMBL3057889

SCHEMBL3057889

CC(=O)OCC(COC(C)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSK P43235 9/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CTSS P25774 5/20 0.40
SYK P43405 1/20 0.39
AAK1 Q2M2I8 3/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL16983984 0.91 CA1 (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL15502185 0.91 CA1 (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL13672322 0.90 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL7353657 0.84 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL7360111 0.84 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL20557220 0.84 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL7704727 0.83 PLA2G2C (0.46) CTSKCTSS
SCHEMBL1688831 0.82 CTSK (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL16020434 0.82 CYP1A2 (0.44) CA1CA2CA7CTSKCYP2D6
SCHEMBL7693886 0.81 ATM (0.65) CTSKATMCTSSSYKCTSL

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200656-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-12-05 EP disclosed
EP-2200656-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-12-05 EP disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
EP-2231200-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-09-29 EP disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 WO disclosed
WO-2009060021-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-14 WO disclosed
WO-2009060021-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-14 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP 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-20100303734-A1 CONTRAST AGENTS C1R, CNKSR1, C5 CA1 250/4885CA2 494/4885CA7 76/4885

“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.