SCHEMBL7136643

SCHEMBL7136643

NC(N)=Nc1nc(C(=O)NCCC(=O)NC(CC(=O)O)c2ccccc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.49
ITGA2B P08514 9/20 0.49
ITGAV P06756 4/20 0.42
MMP12 P39900 2/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ITGB5 P18084 2/20 0.41
ITGB6 P18564 1/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
CTSA P10619 2/20 0.38
HIF1A Q16665 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
MDM4 O15151 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 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
Ethyl Acetate SCHEMBL7305366 0.92 ITGB3 (0.43) ITGB3ITGA2BITGAVMMP12MMP3
SCHEMBL7138642 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVMMP12MMP3
Hydrochloric Acid SCHEMBL7141532 0.89 ITGB3 (0.47) ITGB3ITGA2BITGAVMMP12MMP3
SCHEMBL7136652 0.83 ITGB3 (0.54) ITGB3ITGA2BMMP12MMP3MMP9
SCHEMBL7138660 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAVMMP12MMP3
SCHEMBL7140607 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAVHIF1AATP4A
SCHEMBL7140552 0.78 ITGB3 (0.53) ITGB3ITGA2BITGAVMMP12MMP3
Ethyl Acetate SCHEMBL7305373 0.76 ITGB3 (0.47) ITGB3ITGA2BCTSA
SCHEMBL7144735 0.75 ITGB3 (0.47) ITGB3ITGA2BITGAVMMP12MMP3
SCHEMBL7138653 0.74 ITGB3 (0.52) ITGB3ITGA2BITGAVMMP12MMP3

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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 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 ITGB3 7/4885ITGA2B 106/4885ITGAV 109/4885

“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.