SCHEMBL5152035

SCHEMBL5152035

COC(=O)c1ccc(OCC2CCCN2C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ UCHL1 P09936 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ F2RL3 Q96RI0 4/20 0.42
▸ ALOX5AP P20292 3/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ HSP90AB1 P08238 2/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 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
SCHEMBL31615928 0.89 NPC1 (0.47) NPSR1UCHL1USP30NPC1F2RL3
SCHEMBL5156379 0.89 ALOX5AP (0.46) UCHL1USP30NPC1F2RL3ALOX5AP
SCHEMBL31615845 0.86 ALDH1A1 (0.48) LMNANPSR1UCHL1USP30NPC1
SCHEMBL5153948 0.85 F2RL3 (0.46) LMNANPSR1F2RL3ALOX5APFEN1
SCHEMBL5151622 0.84 NPC1 (0.47) UCHL1USP30NPC1ALOX5APFEN1
SCHEMBL29410752 0.83 CHRNB4 (0.47) UCHL1USP30ALOX5APFEN1
SCHEMBL26999489 0.83 CHRNB4 (0.47) UCHL1USP30ALOX5APFEN1
SCHEMBL29039401 0.83 CHRNB4 (0.47) UCHL1USP30ALOX5APFEN1
SCHEMBL14592145 0.82 ITGA4 (0.41) —
SCHEMBL5149728 0.81 ALOX5AP (0.47) UCHL1USP30NPC1F2RL3ALOX5AP

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 8 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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP 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
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO 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 LMNA 2308/4885NPSR1 2506/4885UCHL1 3675/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 LMNA 2312/4885NPSR1 2578/4885UCHL1 3469/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 LMNA 2327/4885NPSR1 2415/4885UCHL1 3482/4885

“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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