SCHEMBL22504181

SCHEMBL22504181

C=C(C(=O)O)C(C)(C)CC(C)(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
TET2 Q6N021 1/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
BLM P54132 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
ADRA1A P35348 1/20 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
SCHEMBL3775748 0.78 TET2 (0.37) TET2POLB
SCHEMBL8509193 0.75 GGT1 (0.46) GGT1TET2ARG1ARG2BLM
SCHEMBL5147447 0.74 TET2 (0.34) TET2
SCHEMBL1135248 0.73 KDM4E (0.39) TET2KDM4E
SCHEMBL3591388 0.72 GGT1 (0.48) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL22357188 0.72 GGT1 (0.48) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27507733 0.71 TET2 (0.35) GGT1TET2ARG1ARG2BLM
Hydrochloric Acid SCHEMBL16246112 0.70 GGT1 (0.46) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL2138939 0.70 TET2 (0.38) TET2ALDH1A1ADRA1A
SCHEMBL1963590 0.70 TET2 (0.38) TET2ALDH1A1ADRA1A

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-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 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-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 GGT1 4213/4885TET2 4441/4885ARG1 3319/4885

“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.