Ethyl Acetate

Ethyl Acetate

SCHEMBL7141371

CCOC(C)=O.Cc1nc(NC(=N)N)sc1C(=O)NCCC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CSNK1D P48730 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.41
SCD O00767 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7143622 0.93 ITGB3 (0.51) KIFC1MEN1KMT2AITGB3ITGA2B
Acetone SCHEMBL7140518 0.91 ALDH1A1 (0.49) KIFC1MEN1KMT2AITGB3ITGA2B
SCHEMBL7143985 0.91 ALDH1A1 (0.51) KIFC1MEN1KMT2AITGB3ITGA2B
Ethyl Acetate SCHEMBL7305373 0.87 ITGB3 (0.47) MEN1KMT2AITGB3ITGA2BSMN1; SMN2
SCHEMBL7145275 0.85 ITGB3 (0.49) MEN1KMT2AITGB3ITGA2BSMN1; SMN2
Hydrochloric Acid SCHEMBL7145741 0.84 ITGB3 (0.49) MEN1KMT2AITGB3ITGA2BSMN1; SMN2
Hydrochloric Acid SCHEMBL8067753 0.82 ALDH1A1 (0.56) MEN1KMT2AITGB3ITGA2BSMN1; SMN2
SCHEMBL8067783 0.79 KIFC1 (0.42) KIFC1MEN1KMT2AITGB3ITGA2B
SCHEMBL7147848 0.78 ALDH1A1 (0.53) KIFC1MEN1KMT2AITGB3ITGA2B
SCHEMBL7139882 0.78 SMN1; SMN2 (0.45) ITGB3ITGA2BSMN1; SMN2ALDH1A1LMNA

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 6 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
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 KIFC1 3379/4885MEN1 681/4885KMT2A 4510/4885

“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.