SCHEMBL7144065

SCHEMBL7144065

CCOC(=O)CC(NC(=O)c1cccc(NC(=O)c2cnc(NC(=N)N)s2)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
ROCK2 O75116 2/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK14 Q16539 3/20 0.39
ROCK1 Q13464 1/20 0.39
LCK P06239 1/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL7143340 0.89 ITGB3 (0.55) ITGB3ITGA2BROCK2MAPK14ROCK1
SCHEMBL7143343 0.89 ITGB3 (0.55) ITGB3ITGA2BROCK2MAPK14ROCK1
SCHEMBL7140503 0.86 ALDH1A1 (0.49) ITGB3ITGA2BALDH1A1NPC1KMT2A
SCHEMBL7145097 0.85 ITGB3 (0.47) ITGB3ITGA2BALDH1A1F10F2
SCHEMBL3601272 0.79 ITGB3 (0.44) ITGB3ITGA2BALDH1A1F10F2
SCHEMBL3839471 0.78 GPR139 (0.47) ITGB3ITGA2BF10F2KMT2A
SCHEMBL7146957 0.76 ITGB3 (0.55) ITGB3ITGA2BALDH1A1LCKNPC1
Hydrochloric Acid SCHEMBL7140471 0.76 ITGB3 (0.55) ITGB3ITGA2BALDH1A1NPC1KMT2A
SCHEMBL7142111 0.75 MEN1 (0.44) ITGB3ITGA2BALDH1A1F10F2
SCHEMBL3604997 0.74 XIAP (0.44) ITGB3ITGA2BALDH1A1F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
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 ITGB3 7/4885ITGA2B 106/4885ALDH1A1 1400/4885

“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.