SCHEMBL5164380

SCHEMBL5164380

CC(C)(C)OC(=O)C(C)(C)O[C@H]1CCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.35
EPHX1 P07099 1/20 0.35
BTK Q06187 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL5161515 0.85 EPHX1 (0.39) HSD17B10HPGDSMN1; SMN2EPHX1NPC1
SCHEMBL29126180 0.84 HSD17B10 (0.39) HSD17B10HPGDSMN1; SMN2RIPK1EPHX1
SCHEMBL28890612 0.79 HPGD (0.37) HSD17B10HPGDRIPK1EPHX1LMNA
SCHEMBL29126207 0.78 HPGD (0.40) HSD17B10HPGDRIPK1EPHX1LMNA
SCHEMBL5161584 0.74 HSD17B10 (0.39) HSD17B10HPGDSMN1; SMN2RIPK1EPHX1
SCHEMBL28906194 0.73 RIPK1 (0.34) HSD17B10HPGDRIPK1BTKLMNA
SCHEMBL11932167 0.71 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1LMNACYP2C19
SCHEMBL750515 0.71 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1LMNACYP2C19
SCHEMBL2428695 0.71 DPP4 (0.39) HSD17B10LMNACYP2C19ALDH1A1
SCHEMBL28209789 0.71 DPP4 (0.39) HSD17B10LMNACYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 HSD17B10 3097/4885HPGD 4377/4885SMN1; SMN2 3016/4885

“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.