SCHEMBL7137282

SCHEMBL7137282

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGAV P06756 3/20 0.52
CTSK P43235 3/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACKR3 P25106 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HDAC6 Q9UBN7 5/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
FOLH1 Q04609 1/20 0.42
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL7138763 1.00 ITGB3 (0.52) ITGB3ITGAVCTSKMAPTMEN1
SCHEMBL8067785 0.94 MAPT (0.49) ITGB3ITGAVCTSKMAPTMEN1
SCHEMBL7530941 0.84 MAPT (0.42) ITGB3ITGAVMAPTMEN1KMT2A
SCHEMBL7137162 0.83 MAPT (0.50) ITGB3ITGAVCTSKMAPTMEN1
SCHEMBL7137144 0.83 MAPT (0.50) ITGB3ITGAVCTSKMAPTMEN1
SCHEMBL7140433 0.83 MAPT (0.50) ITGB3ITGAVCTSKMAPTMEN1
SCHEMBL7146118 0.82 ROCK2 (0.43) ACKR3HDAC6ROCK2ROCK1HDAC3
SCHEMBL7146110 0.82 ROCK2 (0.43) ACKR3HDAC6ROCK2ROCK1HDAC3
SCHEMBL8067790 0.82 ROCK2 (0.42) ITGB3ITGAVCTSKMAPTMEN1
SCHEMBL15304096 0.80 CTSK (0.57) ITGB3ITGAVCTSKMAPTMEN1

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-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 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 7/4885ITGAV 109/4885CTSK 2742/4885

“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.