SCHEMBL7144080

SCHEMBL7144080

CC(C)(C)OC(=O)CCNC(=O)c1cccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
ROCK2 O75116 9/20 0.43
ROCK1 Q13464 7/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
GRK2 P25098 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL7140545 0.88 KDR (0.53) KDRLMNAMAPK1ROCK2ROCK1
SCHEMBL7138490 0.85 L3MBTL1 (0.39) HTTL3MBTL1MAPTNR1H4PAX8
SCHEMBL7140708 0.81 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL7138480 0.79 CCKBR (0.40) HTTMAPTNR1H4PAX8
SCHEMBL7144238 0.75 ROCK2 (0.42) KDRLMNAMAPK1ROCK2ROCK1
SCHEMBL7144223 0.75 ROCK2 (0.42) KDRLMNAMAPK1ROCK2ROCK1
SCHEMBL8051508 0.75 ROCK2 (0.43) MAPK1ROCK2ROCK1ALDH1A1MAPT
SCHEMBL7145264 0.75 MGLL (0.52) LMNA
SCHEMBL7140433 0.74 MAPT (0.50) MAPK1ROCK2ROCK1ALDH1A1MAPT
SCHEMBL7137144 0.74 MAPT (0.50) MAPK1ROCK2ROCK1ALDH1A1MAPT

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 KDR 12/4885LMNA 3184/4885MAPK1 481/4885

“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.