SCHEMBL9553

SCHEMBL9553

COCCCN(CCC[O])CCCOC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL9466 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TSHR
SCHEMBL8958 0.90 PIK3CD (0.33)
SCHEMBL1024925 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1TSHR
SCHEMBL15746847 0.84 ALDH1A1 (0.33) ALDH1A1MAPK1TSHR
SCHEMBL13925694 0.81 PIK3CD (0.37) ALDH1A1MAPK1
SCHEMBL3429383 0.81
SCHEMBL5616049 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4741 0.78
SCHEMBL13050782 0.77 CYP2D6 (0.40)
SCHEMBL25738742 0.77 FDPS (0.37)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 WO 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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 ALDH1A1 3259/4885MAPK1 1222/4885TSHR 1390/4885

“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.