SCHEMBL7143526

SCHEMBL7143526

CC(C)(C)c1nc(NC(=N)N)sc1C(=O)NCC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGA2B P08514 10/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGAV P06756 3/20 0.42
MMP12 P39900 4/20 0.39
ITGB5 P18084 2/20 0.39
ITGB6 P18564 2/20 0.39
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
CYP26A1 O43174 1/20 0.38
SLC6A9 P48067 1/20 0.38
CTSA P10619 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 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
SCHEMBL7145275 0.88 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGAV
Hydrochloric Acid SCHEMBL7145741 0.87 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7138441 0.87 KMT2A (0.54) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7141518 0.86 ITGB3 (0.47) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7142555 0.85 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7136545 0.83 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7137554 0.82 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7138653 0.79 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL7143622 0.79 ITGB3 (0.51) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7143534 0.79 ITGB3 (0.49) ITGB3ITGA2BITGAVMMP12ITGB5

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 8 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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 106/4885MEN1 681/4885

“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.