SCHEMBL3174472

SCHEMBL3174472

COCCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.63
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 1/20 0.61
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
BMP1 P13497 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL4768899 0.86 CA12 (0.55) VCAM1ALDH1A1MAPTKDM4ECA12
SCHEMBL18227776 0.83 CA12 (0.47) VCAM1ALDH1A1MAPTKDM4ECA12
SCHEMBL28031906 0.82 CA12 (0.69) VCAM1ALDH1A1MAPTCA12CA9
SCHEMBL18205654 0.81 CA12 (0.53) VCAM1ALDH1A1MAPTKDM4ECA12
SCHEMBL13480856 0.81 VCAM1 (0.46) VCAM1ALDH1A1MAPTKDM4EBMP1
SCHEMBL3821934 0.80 VCAM1 (0.54) VCAM1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL7650160 0.80 HTT (0.66) VCAM1ALDH1A1MAPTCA12CA9
SCHEMBL14228900 0.79 CA12 (0.62) VCAM1ALDH1A1MAPTCA12CA9
SCHEMBL3181705 0.79 VCAM1 (0.52) VCAM1ALDH1A1MAPTKDM4ECA12
SCHEMBL17230532 0.79 BMP1 (0.55) VCAM1ALDH1A1BMP1LMNAHTT

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
US-7659284-B2 Inhibitors of ATP-protein kinase; 7-(3-chloro-4-fluoro-phenylamino)-2-(4-pyrrolidin-1-ylmethyl-phenylamino)-thiazolo[4,5-b]pyridine-6-carbonitrile JANSSEN PHARMACEUTICA NV (BE) 2010-02-09 US disclosed
EP-1789055-A2 THIAZOLOPYRIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-30 EP disclosed
WO-2006031929-A2 THIAZOLOPYRIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-23 WO disclosed
US-20060058341-A1 Thiazolopyridine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-16 US 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-20060058341-A1 Thiazolopyridine kinase inhibitors PRKACA, PRKCE, MAP3K9 VCAM1 3504/4885ALDH1A1 2374/4885MAPT 2575/4885

“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.