SCHEMBL4313273

SCHEMBL4313273

CCOC(=O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.39
PRKCZ Q05513 1/20 0.38
AR P10275 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 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
SCHEMBL10520690 0.88 ALDH1A1 (0.40) MAPTL3MBTL1LMNASMN1; SMN2MAPK1
SCHEMBL10575629 0.85 MAPT (0.44) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL8371983 0.85 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL11648038 0.85 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL8373359 0.85 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3920080 0.83 GSK3B (0.40) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL7262061 0.83 LMNA (0.41) MAPTLMNASMN1; SMN2TDP1KMT2A
SCHEMBL11570078 0.81 ALDH1A1 (0.55) MAPTCRHBPCRHR2L3MBTL1SMN1; SMN2
SCHEMBL6795835 0.80 KMT2A (0.41) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL10521236 0.79 ALDH1A1 (0.41) MAPTCRHBPCRHR2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1874299-A2 VLA-4 ANTAGONISTS Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115918-A2 VLA-4 ANTAGONISTS MERCK & CO., INC. (US) 2006-11-02 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 (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-20090069376-A1 VLA-4 Antagonists VCAM1, SELPLG, ITGB4 MAPT 4429/4885CRHBP 4496/4885CRHR2 4597/4885

“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.