SCHEMBL5156918

SCHEMBL5156918

CC(C)(C)OC(=O)N1CCCC1C(O)Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
UCHL1 P09936 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL22139321 0.87 HSD17B10 (0.49) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL20256229 0.87 HSD17B10 (0.49) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL19959341 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL13343679 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL3571595 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL25215473 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL19637426 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL25418925 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL10239069 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1
SCHEMBL3420226 0.86 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 HSD17B10 3461/4885NPC1 2939/4885LMNA 2308/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 HSD17B10 3405/4885NPC1 3300/4885LMNA 2312/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 HSD17B10 3504/4885NPC1 2981/4885LMNA 2327/4885

“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.