SCHEMBL7140545

SCHEMBL7140545

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
EGLN2 Q96KS0 2/20 0.49
EGLN1 Q9GZT9 2/20 0.49
ROCK2 O75116 7/20 0.48
ROCK1 Q13464 5/20 0.48
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
GRK2 P25098 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7144080 0.88 KDR (0.47) KDRROCK2ROCK1LMNAMAPK1
SCHEMBL8062317 0.83 CLK1 (0.43) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL7145106 0.81 ROCK2 (0.48) KDREGLN2EGLN1ROCK2ROCK1
SCHEMBL7145508 0.80 ROCK2 (0.53) KDREGLN2EGLN1ROCK2ROCK1
SCHEMBL7145773 0.80 ROCK2 (0.53) KDRROCK2ROCK1LMNAALDH1A1
Hydrochloric Acid SCHEMBL7145017 0.79 ROCK2 (0.52) KDREGLN2EGLN1ROCK2ROCK1
SCHEMBL7140468 0.79 ROCK2 (0.54) EGLN2EGLN1ROCK2ROCK1LMNA
Trifluoroacetic Acid SCHEMBL7145403 0.79 NR1H4 (0.45) MAPK1HTTMAPTKDM4EGAA
SCHEMBL6776908 0.78 MAPK1 (0.50) KDREGLN2EGLN1LMNAMAPK1
SCHEMBL7141146 0.77 ROCK2 (0.59) KDRROCK2ROCK1SMN1; SMN2

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-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
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 12/4885EGLN2 4211/4885EGLN1 4502/4885

“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.