SCHEMBL460036

SCHEMBL460036

CC1(C(=O)O)CCC(C(=O)NNC(=O)CCC(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
FFAR3 O14843 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 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
SCHEMBL460035 1.00 ALDH1A1 (0.37) ALDH1A1CYP2C19FFAR3CYP1A2CYP2D6
SCHEMBL4776743 0.79 CYP2C19 (0.42) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL14303404 0.77 ALDH1A1 (0.54) ALDH1A1CYP2C19SMN1; SMN2HSD17B10CYP3A4
SCHEMBL438898 0.75 ALDH1A1 (0.37) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL438897 0.75 ALDH1A1 (0.37) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL22217032 0.70 FFAR3 (0.50) ALDH1A1CYP2C19FFAR3CYP1A2SMN1; SMN2
SCHEMBL431288 0.66 FFAR3 (0.59) ALDH1A1CYP2C19FFAR3CYP1A2SMN1; SMN2
SCHEMBL11799188 0.66 FFAR3 (0.59) ALDH1A1CYP2C19FFAR3CYP1A2SMN1; SMN2
SCHEMBL4782482 0.65 CYP2C19 (0.37) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL6845298 0.65 FFAR3 (0.52) ALDH1A1CYP2C19FFAR3CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885CYP2C19 3016/4885FFAR3 930/4885

“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.