SCHEMBL5843366

SCHEMBL5843366

O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
PIM1 P11309 1/20 0.51
PTGER4 P35408 1/20 0.51
ABCB1 P08183 1/20 0.51
RPA1 P27694 1/20 0.49
AURKA O14965 1/20 0.48
TPX2 Q9ULW0 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
KDM4E B2RXH2 1/20 0.46
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL1772679 0.81 ALDH1A1 (0.84) ALDH1A1HPGDRPA1NR4A1NR4A2
SCHEMBL4896906 0.80 ALDH1A1 (0.66) ALDH1A1HPGDNR4A2KDM4EMAPT
SCHEMBL3744237 0.79 ALDH1A1 (0.64) ALDH1A1HPGDPIM1RPA1NR4A1
SCHEMBL22042133 0.78 SCN10A (0.62) SCN10APIM1PTGER4AURKATPX2
Hydrochloric Acid SCHEMBL10434191 0.78 ALDH1A1 (0.62) ALDH1A1HPGDPIM1RPA1NR4A1
SCHEMBL3417241 0.78 ALDH1A1 (0.67) ALDH1A1HPGDPIM1RPA1NR4A1
SCHEMBL26264367 0.76 SUCNR1 (0.71) SCN10A
SCHEMBL26263250 0.76 SUCNR1 (0.62) SCN10AKDM4EMAPT
SCHEMBL3054179 0.76 ALDH1A1 (0.70) ALDH1A1HPGDRPA1NR4A1NR4A2
SCHEMBL7138575 0.75 ALDH1A1 (0.65) ALDH1A1HPGDNR4A1NR4A2NR4A3

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-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE SCN10A 2264/4885ALDH1A1 4380/4885HPGD 2181/4885

“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.