SCHEMBL5152275

SCHEMBL5152275

COC(=O)c1ccc(SCC2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
UCHL1 P09936 2/20 0.44
USP30 Q70CQ3 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 3/20 0.41
DPP4 P27487 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
KDM1A O60341 1/20 0.40
TSHR P16473 1/20 0.39
CHEK2 O96017 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
SCHEMBL5152901 0.88 UCHL1 (0.44) NPC1UCHL1USP30KMT2AMEN1
SCHEMBL16013926 0.85 FPR3 (0.50) NPC1UCHL1USP30KMT2AMEN1
SCHEMBL16013925 0.85 FPR3 (0.50) NPC1UCHL1USP30KMT2AMEN1
SCHEMBL5155549 0.85 ALDH1A1 (0.43) NPC1KMT2AMEN1OPRD1ALDH1A1
SCHEMBL5168666 0.83 MAPT (0.43) NPC1KMT2AMEN1OPRD1ALDH1A1
SCHEMBL21834842 0.83 NPC1 (0.48) NPC1UCHL1USP30HDAC1HDAC6
SCHEMBL4310672 0.83 FFAR1 (0.46) KMT2AMEN1OPRD1ALDH1A1LMNA
SCHEMBL4310678 0.83 FFAR1 (0.46) KMT2AMEN1OPRD1ALDH1A1LMNA
SCHEMBL5180568 0.82 KDM1A (0.48) NPC1KMT2AMEN1OPRD1ALDH1A1
SCHEMBL5150103 0.81 NPC1 (0.52) NPC1UCHL1USP30HDAC1HDAC6

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 6 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
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 (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 NPC1 3300/4885UCHL1 3469/4885USP30 4484/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 NPC1 2981/4885UCHL1 3482/4885USP30 4441/4885

“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.