SCHEMBL2465398

SCHEMBL2465398

CC(C)(C)OC(=O)C(OC1CCC(C(=O)O)CC1)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.36
BTK Q06187 1/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.33
CTSL P07711 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PREP P48147 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL2429386 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HPGDKMT2AHRH3LMNA
SCHEMBL2434806 0.86 ALDH1A1 (0.46) SMN1; SMN2KMT2AHRH3CTSLMEN1
SCHEMBL9935314 0.80 HSD17B10 (0.36) HSD17B10SMN1; SMN2HPGDBTKKMT2A
SCHEMBL2434333 0.76 SMN1; SMN2 (0.37) HSD17B10SMN1; SMN2HPGDBTKKMT2A
SCHEMBL5681663 0.73 GAA (0.33) HSD17B10HPGDKMT2ALMNAMEN1
SCHEMBL2429488 0.72 TSHR (0.33) HPGDLMNATSHR
SCHEMBL3825201 0.71 HSD17B10 (0.45) HSD17B10SMN1; SMN2HPGDBTKKMT2A
SCHEMBL71018 0.70 ALDH1A1 (0.42) HSD17B10SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL71003 0.70 HSD17B10 (0.36) HSD17B10SMN1; SMN2HPGDBTKKMT2A
SCHEMBL6991986 0.69 HSD17B10 (0.41) HSD17B10SMN1; SMN2HPGDBTKKMT2A

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 HSD17B10 1607/4885SMN1; SMN2 3702/4885HPGD 4476/4885

“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.