SCHEMBL7146586

SCHEMBL7146586

CCOC(=O)CC(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
MAPT P10636 3/20 0.73
EEF2K O00418 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CA2 P00918 2/20 0.49
MMP2 P08253 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL3839370 0.94 ALDH1A1 (0.76) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL3834647 0.91 ALDH1A1 (0.67) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL7140434 0.86 EEF2K (0.69) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL7315916 0.86 EEF2K (0.69) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL6774065 0.84 ALDH1A1 (0.55) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL7145763 0.83 ALDH1A1 (0.54) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL5878110 0.83 ALDH1A1 (0.54) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL6896597 0.82 MAPT (0.60) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL12317324 0.82 GAA (0.56) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL7198913 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1LMNA

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
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ALDH1A1 1400/4885MAPT 86/4885EEF2K 1935/4885

“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.