SCHEMBL71003

SCHEMBL71003

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.32
BTK Q06187 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL72695 0.88 ALDH1A1 (0.42) KMT2AHRH3
SCHEMBL72224 0.88 ALDH1A1 (0.42) KMT2AHRH3
SCHEMBL74746 0.74 ALDH1A1 (0.42) KMT2ASMN1; SMN2HPGD
SCHEMBL73082 0.73 ALDH1A1 (0.41) KMT2A
SCHEMBL9935314 0.72 HSD17B10 (0.36) HSD17B10KMT2ASMN1; SMN2HPGDBTK
SCHEMBL2434336 0.71 HSD17B10 (0.38) HSD17B10KMT2ASMN1; SMN2HPGDBTK
SCHEMBL2465398 0.70 HSD17B10 (0.40) HSD17B10KMT2ASMN1; SMN2HPGDBTK
SCHEMBL25474802 0.67 LMNA (0.39) HSD17B10KMT2ASMN1; SMN2BTK
SCHEMBL9680450 0.67 LMNA (0.39) HSD17B10KMT2ASMN1; SMN2BTK
SCHEMBL25490288 0.67 LMNA (0.39) HSD17B10KMT2ASMN1; SMN2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HSD17B10 651/4885KMT2A 568/4885SMN1; SMN2 4739/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HSD17B10 861/4885KMT2A 656/4885SMN1; SMN2 4702/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HSD17B10 736/4885KMT2A 881/4885SMN1; SMN2 4787/4885

“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.