SCHEMBL5354850

SCHEMBL5354850

CC(C)C(=O)CCCC(=O)ONC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
CA7 P43166 2/20 0.41
CTSK P43235 5/20 0.40
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CAPN1 P07384 1/20 0.33
CTSS P25774 1/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 1/20 0.33
CA4 P22748 1/20 0.32

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
SCHEMBL28363958 0.83 TSHR (0.54) CA2CA1CA7CTSKMEN1
SCHEMBL7279153 0.82 TSHR (0.50) CA2CA1CA7CTSKCYP2D6
SCHEMBL2433806 0.82 TSHR (0.38) CA2CA1CA7CTSKCYP2D6
SCHEMBL27784444 0.81 CA1 (0.41) CA2CA1CA7CTSKCYP2D6
SCHEMBL7119549 0.80 TDP1 (0.50) CA2CA1CA7CTSKCYP2D6
SCHEMBL1638343 0.80 CTSK (0.43) CA2CA1CA7CTSKMEN1
SCHEMBL4653239 0.79 DGKA (0.43) CA1CA7CTSKTDP1CA12
SCHEMBL28651273 0.79 HDAC4 (0.40) CA2CA1CA7CTSKCYP2D6
SCHEMBL9753571 0.79 TDP1 (0.38) CA2CA1CA7CTSKCYP2D6
SCHEMBL25438156 0.78 DGKA (0.46) CTSKTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 CA2 1361/4885CA1 1631/4885CA7 2794/4885

“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.