SCHEMBL2433145

SCHEMBL2433145

CC(C)(C)OC(=O)N1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
POLB P06746 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
ALOX5 P09917 1/20 0.37
FOLH1 Q04609 1/20 0.37
MMP2 P08253 1/20 0.36

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
SCHEMBL935021 0.84 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL14627093 0.84 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL30700623 0.81 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL16766115 0.81 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL933956 0.78 ALDH1A1 (0.44) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL933960 0.78 ALDH1A1 (0.44) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL30912469 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL14343503 0.78 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL933972 0.78 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL933974 0.78 ALDH1A1 (0.43) ALDH1A1MAPTLMNAADRB2ADRB1

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 4 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
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 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

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

For each of this compound's patents that has machine-readable text (1 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ALDH1A1 981/4885MAPT 4631/4885LMNA 2852/4885

“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.