SCHEMBL2431990

SCHEMBL2431990

COC(=O)C1CCC(OC(OC2CCCCC2)(C(=O)OC(C)(C)C)N2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
FKBP1A P62942 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4B Q07343 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
DGAT1 O75907 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
SCHEMBL2431988 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1POLBHPGDEPHX1
SCHEMBL2432116 0.91 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1POLBHPGDEPHX1
SCHEMBL2435319 0.86 TP53 (0.39) SMN1; SMN2ALDH1A1POLBHPGDTP53
SCHEMBL72597 0.85 GAA (0.40) SMN1; SMN2ALDH1A1POLBHPGDTP53
SCHEMBL2436112 0.83 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL2432698 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBHPGDEPHX1
SCHEMBL2432697 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBHPGDEPHX1
SCHEMBL2434568 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1POLBHPGDEPHX1
SCHEMBL2433811 0.81 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1POLBHPGDTP53
SCHEMBL2434336 0.80 HSD17B10 (0.38) SMN1; SMN2HPGDKMT2A

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 3702/4885ALDH1A1 981/4885POLB 4164/4885

“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.