SCHEMBL2429993

SCHEMBL2429993

COC(=O)C1CCC(OC(NC(=O)C(F)(F)F)(C(=O)OC(C)(C)C)N2CCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL2429991 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTDP1ALDH1A1TP53
SCHEMBL2432697 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53MEN1TSHR
SCHEMBL2432698 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53MEN1TSHR
SCHEMBL2434568 0.77 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TP53MEN1TSHR
SCHEMBL2432116 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1TP53MEN1
SCHEMBL2432897 0.77 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL2432895 0.77 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL2431988 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53MEN1TSHR
SCHEMBL2433811 0.76 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TP53MEN1TSHR
SCHEMBL2431990 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
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 SMN1; SMN2 3702/4885MAPT 4631/4885TDP1 4666/4885

“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.