SCHEMBL21150752

SCHEMBL21150752

CC(C)(C)OC(=O)CCS(=O)(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA2 P00918 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
STING1 Q86WV6 1/20 0.32
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 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
SCHEMBL7418776 0.81 CA12 (0.37) CA12CA14CA2HDAC3HDAC1
SCHEMBL3451980 0.78 CA12 (0.38) CA12CA14CA2HDAC3HDAC1
SCHEMBL644646 0.77 TSHR (0.45) CA12CA14CA2HDAC3HDAC1
SCHEMBL9223353 0.76 CA12 (0.34) CA12CA14CA2HDAC3HDAC1
SCHEMBL22615877 0.76 APEX1 (0.37) CA12CA14CA2HDAC3HDAC1
SCHEMBL770916 0.76 TSHR (0.55) CA12CA14CA2CA7
SCHEMBL20087370 0.75 APEX1 (0.35) CA12CA14CA2HDAC3HDAC1
SCHEMBL6787579 0.74 CYP2D6 (0.39) CA12CA14CA2HDAC3HDAC1
SCHEMBL30200572 0.74 CA12 (0.31) CA12CA14CA2
Hydrochloric Acid SCHEMBL28548757 0.74 TSHR (0.52) CA12CA14CA2CA7

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-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2023-03-16 US disclosed
US-11572370-B2 CD16A binding agents and uses thereof BIOHAVEN THERAPEUTICS LTD. (US) 2023-02-07 US disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 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 (2 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-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B CA12 885/4885CA14 972/4885CA2 3620/4885
US-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CA12 4083/4885CA14 3887/4885CA2 4548/4885

“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.