SCHEMBL22405855

SCHEMBL22405855

CC(C)(C)OC(=O)N1CCCC(O)(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EPHX1 P07099 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SCD5 Q86SK9 1/20 0.38
TSHR P16473 2/20 0.38
PREP P48147 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP11B2 P19099 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL571118 0.90 USP2 (0.46) HPGDUSP2SMN1; SMN2USP30SCD5
SCHEMBL30707171 0.88 HPGD (0.42) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL30922753 0.87 HPGD (0.40) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL662507 0.86 HPGD (0.44) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL571435 0.84 USP2 (0.46) HPGDUSP2SMN1; SMN2EPHX1ATM
SCHEMBL21749171 0.83 HPGD (0.42) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL20482260 0.83 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL2279068 0.83 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL6943029 0.83 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL24711544 0.82 HPGD (0.45) HPGDUSP2SMN1; SMN2MEN1KMT2A

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-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
US-11390604-B2 Imidazole-pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
CN-113613722-A Novel imidazole-pyrazole derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN disclosed
US-20200290998-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 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 (3 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-20200290998-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES F12, RIN1, CYP3A7 HPGD 2752/4885USP2 3949/4885SMN1; SMN2 3719/4885
US-11390604-B2 Imidazole-pyrazole derivatives F12, CYP3A7, NLRP3 HPGD 2671/4885USP2 4120/4885SMN1; SMN2 3912/4885
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IKZF3, INTS9, CYP2C9 HPGD 3009/4885USP2 3792/4885SMN1; SMN2 3799/4885

“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.