Ethyl Acetate

Ethyl Acetate

SCHEMBL7305366

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

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 1/20 0.37
ITGAV P06756 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
HIF1A Q16665 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB6 P18564 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7136643 0.92 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
Ethyl Acetate SCHEMBL7305373 0.86 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2LMNANPC1
SCHEMBL7138642 0.83 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7141532 0.82 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7139882 0.77 SMN1; SMN2 (0.45) ITGB3ITGA2BSMN1; SMN2LMNANPC1
SCHEMBL7136652 0.77 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2LMNAMMP3
SCHEMBL7141431 0.76 ATP4A (0.41) SMN1; SMN2LMNANPC1RAB9AHIF1A
Ethyl Acetate SCHEMBL7141371 0.75 KIFC1 (0.46) ITGB3ITGA2BSMN1; SMN2LMNANPC1
SCHEMBL7138660 0.75 ITGB3 (0.46) ITGB3ITGA2BITGAVMMP3MMP9
SCHEMBL7140607 0.74 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2LMNAITGAV

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
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 106/4885PRSS1 1874/4885

“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.