SCHEMBL23217911

SCHEMBL23217911

CC(C)(C/C=C/CC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ALOX15 P16050 1/20 0.32
TET2 Q6N021 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GGT1 P19440 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL23217912 1.00 ACLY (0.48) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL18704292 0.88 ACLY (0.41) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL18704294 0.88 ACLY (0.41) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL132112 0.87 ACLY (0.43) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL132109 0.87 ACLY (0.43) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL20533115 0.87 ACLY (0.43) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL10584864 0.86 ACLY (0.48) ACLYCYP2C19CHRM1TBXA2RALOX15
SCHEMBL10584851 0.86 ACLY (0.48) ACLYCYP2C19CHRM1TBXA2RALOX15
SCHEMBL2882121 0.84 ALDH1A1 (0.48) ACLYALDH1A1ALOX15KDM4EL3MBTL1
SCHEMBL91183 0.84 ACLY (0.38) ACLYACACBACACA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
CN-114945573-A Prodrugs of myeloperoxidase inhibitors 拜奥海芬治疗学有限公司 2022-08-26 CN disclosed
EP-4041735-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS Biohaven Therapeutics Ltd. (US) 2022-08-17 EP disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 WO disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 ACLY 1151/4885TSHR 2529/4885ALDH1A1 570/4885

“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.