SCHEMBL3827409

SCHEMBL3827409

CC(C)N(CCOCCN(C)C(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CTSB P07858 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
SCHEMBL3827494 0.85 CTSK (0.38) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL13567949 0.84 CTSK (0.45) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL3837383 0.77 ALDH1A1 (0.40) CHRM2CTSB
SCHEMBL17802003 0.76 BLM (0.39) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL3827851 0.76 CTSK (0.39) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL24596804 0.74 CTSK (0.41) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL30784696 0.74 CTSK (0.35) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL3833967 0.73 ALDH1A1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21224845 0.72 CHRNB2 (0.38) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL28769254 0.72 CTSK (0.35) CTSKCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 CTSK 3724/4885CHRM2 3444/4885CHRM4 4178/4885

“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.