SCHEMBL7145903

SCHEMBL7145903

CCC(=O)C(c1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1)C(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
ROCK1 Q13464 6/20 0.44
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.40
NAMPT P43490 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN1 P18031 1/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL7537524 0.92 MAPT (0.43) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7531619 0.82 ROCK2 (0.41) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7142296 0.82 ROCK2 (0.48) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7145101 0.81 ITGB3 (0.48) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7143549 0.80 LMNA (0.46) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7146575 0.80 ROCK2 (0.50) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL8063431 0.79 PPARG (0.53) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7147820 0.78 LMNA (0.48) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL6873146 0.78 RAB9A (0.48) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1
SCHEMBL7992257 0.77 ROCK2 (0.46) ROCK2ROCK1RAB9AL3MBTL1ALDH1A1

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-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

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 62/4885RAB9A 1440/4885

“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.