SCHEMBL7140708

SCHEMBL7140708

CC(C)(C)OC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.52
ROCK1 Q13464 10/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
PPID Q08752 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.42
LCK P06239 1/20 0.42
MMP3 P08254 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
SCHEMBL8051508 0.88 ROCK2 (0.43) ROCK2ROCK1SMN1; SMN2MEN1KMT2A
SCHEMBL8063417 0.88 ROCK2 (0.43) ROCK2ROCK1SMN1; SMN2MEN1KMT2A
SCHEMBL15145661 0.88 PPID (0.60) ROCK2ROCK1SMN1; SMN2PPIDNPC1
SCHEMBL7141146 0.86 ROCK2 (0.59) ROCK2ROCK1SMN1; SMN2HIF1AMMP3
SCHEMBL8062348 0.85 ROCK2 (0.41) ROCK2ROCK1SMN1; SMN2MEN1KMT2A
SCHEMBL18595025 0.84 ROCK2 (0.55) ROCK2ROCK1SMN1; SMN2HIF1ALCK
SCHEMBL18595010 0.83 ROCK2 (0.59) ROCK2ROCK1SMN1; SMN2NPC1RAB9A
SCHEMBL7139835 0.83 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL7139827 0.83 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL8067759 0.82 ROCK2 (0.43) ROCK2ROCK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP 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 ROCK2 180/4885ROCK1 62/4885SMN1; SMN2 3186/4885

“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.