SCHEMBL5152901

SCHEMBL5152901

COC(=O)c1cccc(SCC2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.44
USP30 Q70CQ3 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL5152275 0.88 NPC1 (0.46) UCHL1USP30NPSR1NPC1MEN1
SCHEMBL5150012 0.85 NPSR1 (0.43) UCHL1NPSR1MAPTMEN1KMT2A
SCHEMBL26999489 0.81 CHRNB4 (0.47) UCHL1USP30POLBKDM1A
SCHEMBL29410752 0.81 CHRNB4 (0.47) UCHL1USP30POLBKDM1A
SCHEMBL29039401 0.81 CHRNB4 (0.47) UCHL1USP30POLBKDM1A
SCHEMBL5180568 0.81 KDM1A (0.48) NPC1MEN1KMT2AOPRD1ALDH1A1
SCHEMBL5155549 0.78 ALDH1A1 (0.43) NPSR1MAPTNPC1MEN1KMT2A
SCHEMBL16013925 0.78 FPR3 (0.50) UCHL1USP30NPSR1NPC1MEN1
SCHEMBL8214939 0.78 ROCK2 (0.53) UCHL1USP30NPSR1MAPTNPC1
SCHEMBL321027 0.78 ROCK2 (0.53) UCHL1USP30NPSR1MAPTNPC1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 UCHL1 3469/4885USP30 4484/4885NPSR1 2578/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 UCHL1 3482/4885USP30 4441/4885NPSR1 2415/4885

“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.