SCHEMBL3048518

SCHEMBL3048518

CCCCC(CCBr)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
MAPK1 P28482 1/20 0.41
CTSK P43235 5/20 0.40
CTSS P25774 1/20 0.38
GAA P10253 2/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL25670282 0.91 CA2 (0.53) CA2CA1MAPK1CTSKCTSS
SCHEMBL26100054 0.91 KMT2A (0.38) CA2CA1GAAMEN1KMT2A
SCHEMBL1922911 0.87 CA2 (0.47) CA2CA1MAPK1CTSKCTSS
SCHEMBL24360474 0.87 CA2 (0.50) CA2CA1MAPK1CTSKCTSS
SCHEMBL4458553 0.87 CA2 (0.50) CA2CA1MAPK1CTSKCTSS
SCHEMBL20002265 0.87 CA2 (0.50) CA2CA1MAPK1CTSKCTSS
SCHEMBL31235985 0.85 CA2 (0.53) CA2CA1MAPK1CTSK
Water SCHEMBL28721777 0.85 CA2 (0.48) CA2CA1MAPK1CTSKCTSS
SCHEMBL22035852 0.85 CA2 (0.53) CA2CA1MAPK1CTSK
SCHEMBL21259199 0.85 CA2 (0.53) CA2CA1MAPK1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328619-B1 POLYMERIC BENZYL CARBONATE-DERIVATIVES Baxalta GmbH (CH) 2016-12-07 EP disclosed
EP-2328619-B1 POLYMERIC BENZYL CARBONATE-DERIVATIVES Baxalta GmbH (CH) 2016-12-07 EP disclosed
US-8962549-B2 Polymeric benzyl carbonate-derivatives BAXTER INTERNATIONAL INC. (US) 2015-02-24 US disclosed
US-8962549-B2 Polymeric benzyl carbonate-derivatives BAXTER INTERNATIONAL INC. (US) 2015-02-24 US disclosed
US-8962549-B2 Polymeric benzyl carbonate-derivatives BAXTER INTERNATIONAL INC. (US) 2015-02-24 US disclosed
US-20140128445-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE SA (CH) 2014-05-08 US disclosed
US-20140128445-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE SA (CH) 2014-05-08 US disclosed
US-20140128445-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE SA (CH) 2014-05-08 US disclosed
US-8653131-B2 Polymeric benzyl carbonate-derivatives BAXTER HEALTHCARE S.A. (CH) 2014-02-18 US disclosed
US-8653131-B2 Polymeric benzyl carbonate-derivatives BAXTER HEALTHCARE S.A. (CH) 2014-02-18 US disclosed
US-8653131-B2 Polymeric benzyl carbonate-derivatives BAXTER HEALTHCARE S.A. (CH) 2014-02-18 US disclosed
WO-2010022320-A2 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER INTERNATIONAL INC. (US) 2010-02-25 WO disclosed
US-20100048483-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE S.A. (CH) 2010-02-25 US disclosed
US-20100048483-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE S.A. (CH) 2010-02-25 US disclosed
US-20100048483-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE S.A. (CH) 2010-02-25 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-20100048483-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES SI, SLC1A5, BCAT1 CA2 71/4885CA1 38/4885MAPK1 4501/4885
US-20140128445-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES SI, SLC1A5, BCAT1 CA2 71/4885CA1 38/4885MAPK1 4501/4885

“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.