SCHEMBL29459692

SCHEMBL29459692

O=C(O)C1CCCC1=S(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.32
OAT P04181 1/20 0.31

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
SCHEMBL1835404 0.76 MCL1 (0.36) SIRT1KDM4EPOLBL3MBTL1MCL1
SCHEMBL6622419 0.73
SCHEMBL22468834 0.70
SCHEMBL932332 0.70
SCHEMBL14875376 0.68 OAT (0.36) SIRT1KDM4EPOLBL3MBTL1MCL1
SCHEMBL8741700 0.68
SCHEMBL6865407 0.68 MCL1 (0.34) SIRT1KDM4EPOLBL3MBTL1MCL1
SCHEMBL20104017 0.67 KDM4E (0.42) SIRT1KDM4EPOLBL3MBTL1MCL1
SCHEMBL5251694 0.67 KDM4E (0.42) SIRT1KDM4EPOLBL3MBTL1MCL1
SCHEMBL17925154 0.67 SIRT1 (0.33) SIRT1KDM4EPOLBL3MBTL1MCL1

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-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 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-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R SIRT1 950/4885KDM4E 3525/4885POLB 3808/4885

“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.