SCHEMBL24977890

SCHEMBL24977890

CC(=O)SCc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nn1C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
SLC16A3 O15427 3/20 0.34
SLC16A1 P53985 3/20 0.34
MCTS1 Q9ULC4 2/20 0.34
SMYD2 Q9NRG4 2/20 0.33
ATR Q13535 3/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GRM5 P41594 3/20 0.31
CFTR P13569 2/20 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
SCHEMBL22825574 0.83 CYP4F2 (0.36) CYP4F2CYP4A11SLC16A3SLC16A1MCTS1
SCHEMBL24977875 0.78 CYP4F2 (0.36) CYP4F2CYP4A11SLC16A3SLC16A1MCTS1
SCHEMBL19469221 0.76 SMYD2 (0.33) SLC16A3SLC16A1MCTS1SMYD2
SCHEMBL15633152 0.76 GRM5 (0.34) CYP4F2CYP4A11SLC16A3SLC16A1MCTS1
SCHEMBL24977637 0.71 TDP1 (0.38) CYP4F2CYP4A11
SCHEMBL22826015 0.69 CYP4F2 (0.39) CYP4F2CYP4A11SLC16A3SLC16A1MCTS1
SCHEMBL22412880 0.67 MEN1 (0.39) SLC16A3SLC16A1MCTS1SMYD2
SCHEMBL20390489 0.67 CYP4F2 (0.35) CYP4F2CYP4A11ATR
SCHEMBL3338672 0.67 RXRA (0.35) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL176777 0.67 DGAT2 (0.37) CYP4F2CYP4A11ATRRXRARXRB

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-20230021562-A1 MACROCYLIC INDOLE DERIVATIVES MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-01-26 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-20230021562-A1 MACROCYLIC INDOLE DERIVATIVES MCL-1 INHIBITORS MCL1, BCL2L1, BAK1 CYP4F2 4722/4885CYP4A11 4575/4885SLC16A3 3924/4885

“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.