SCHEMBL5156646

SCHEMBL5156646

COC(=O)c1cccc(OC(Cl)C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.44
▸ UCHL1 P09936 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL29410752 0.79 CHRNB4 (0.47) USP30UCHL1CHRNB4CHRNA3
SCHEMBL30740751 0.79 UCHL1 (0.42) USP30UCHL1ALDH1A1NPC1MEN1
SCHEMBL29039401 0.79 CHRNB4 (0.47) USP30UCHL1CHRNB4CHRNA3
SCHEMBL26999489 0.79 CHRNB4 (0.47) USP30UCHL1CHRNB4CHRNA3
SCHEMBL30740703 0.78 UCHL1 (0.43) USP30UCHL1ALDH1A1NPC1MEN1
SCHEMBL30740705 0.78 KDM4D (0.42) USP30UCHL1ALDH1A1NPC1MEN1
SCHEMBL8214939 0.78 ROCK2 (0.53) USP30UCHL1ALDH1A1NPC1MEN1
SCHEMBL321027 0.78 ROCK2 (0.53) USP30UCHL1ALDH1A1NPC1MEN1
SCHEMBL30745347 0.77 KMT2A (0.43) USP30UCHL1ALDH1A1MEN1KMT2A
SCHEMBL5149881 0.74 NPC1 (0.45) USP30UCHL1ALDH1A1NPC1MEN1

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 USP30 4522/4885UCHL1 3675/4885ALDH1A1 146/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 USP30 4484/4885UCHL1 3469/4885ALDH1A1 120/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 USP30 4441/4885UCHL1 3482/4885ALDH1A1 135/4885

“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.

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