SCHEMBL5355381

SCHEMBL5355381

CC[Si](CC)(CC)OC(C1CCC(C(=O)NCC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK1 P23458 11/20 0.35
JAK2 O60674 9/20 0.35
JAK3 P52333 9/20 0.35
TYK2 P29597 1/20 0.35
RXFP1 Q9HBX9 3/20 0.33
EPHX2 P34913 2/20 0.33

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
SCHEMBL5358384 0.81 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL5355388 0.80 HPGDS (0.33) JAK1JAK2JAK3TYK2
SCHEMBL2585149 0.75 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10JAK1JAK2JAK3
Hydrochloric Acid SCHEMBL15826105 0.73 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10JAK1JAK2JAK3
SCHEMBL5070059 0.73 HSD17B10 (0.42) SMN1; SMN2HSD17B10JAK1JAK2JAK3
SCHEMBL5359018 0.71
SCHEMBL16480146 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10JAK1JAK2JAK3
SCHEMBL15200303 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10JAK1JAK2JAK3
SCHEMBL5355384 0.69
SCHEMBL14808770 0.69 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10JAK1JAK2JAK3

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
EP-1831158-A1 NOVEL CYCLOHEXANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-7253282-B2 Hexafluoroisopropanol substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
WO-2006066779-A1 NOVEL CYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 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-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives NR1H3, NR1H2, NR1I2 SMN1; SMN2 4559/4885HSD17B10 667/4885JAK1 4508/4885

“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.