SCHEMBL2433710

SCHEMBL2433710

CC(C)(C)OC(=O)N1[C@H](CO)CC[C@H]1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
STS P08842 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GPR119 Q8TDV5 2/20 0.39
KLK7 P49862 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NR1D1 P20393 1/20 0.39
CETP P11597 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
PPARA Q07869 1/20 0.38
HTR2C P28335 1/20 0.38
KMT2A Q03164 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
SCHEMBL5152462 1.00 ABCB1 (0.45) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL14592677 1.00 ABCB1 (0.45) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL2432631 1.00 ABCB1 (0.45) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL14592644 0.91 ABCB1 (0.42) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL5457099 0.91 ABCB1 (0.42) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL19237001 0.88 HTR2C (0.43) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL31641983 0.87 ABCB1 (0.41) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL31642777 0.87 ABCB1 (0.41) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL5162583 0.87 ABCB1 (0.41) ABCB1STSL3MBTL1GPR119KLK7
SCHEMBL2433340 0.87 ABCB1 (0.41) ABCB1STSL3MBTL1GPR119KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 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-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN 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 (6 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ABCB1 3109/4885STS 1179/4885L3MBTL1 4767/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ABCB1 1901/4885STS 3431/4885L3MBTL1 703/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ABCB1 2174/4885STS 3507/4885L3MBTL1 428/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ABCB1 835/4885STS 1994/4885L3MBTL1 1686/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ABCB1 2207/4885STS 2480/4885L3MBTL1 668/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ABCB1 2028/4885STS 3436/4885L3MBTL1 503/4885

“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.