SCHEMBL5178113

SCHEMBL5178113

CCOC(=O)CC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 1/20 0.43
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8668654 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL197988 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16190580 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1532632 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL195939 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1237869 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1904864 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7561945 0.80 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27017174 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8630207 0.79 ALDH1A1 (0.45) GAAMGAMSIMGAM2ALDH1A1

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-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP GAA 1577/4885MGAM 3983/4885SI 514/4885

“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.