SCHEMBL21996204

SCHEMBL21996204

C/C(=C/C(=O)O)[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ FFAR3 O14843 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ NR4A2 P43354 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ TSHR P16473 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ EGLN3 Q9H6Z9 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
SCHEMBL28459806 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10779338 0.69 KDM4E (0.33) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL10779349 0.69 KDM4E (0.33) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL5309281 0.67 KDM4E (0.46) KDM4EATMFFAR3LCKFYN
SCHEMBL666311 0.67 — —
SCHEMBL666310 0.67 — —
SCHEMBL58395 0.67 — —
SCHEMBL6282202 0.67 — —
SCHEMBL11474961 0.65 — —
SCHEMBL29222319 0.65 — —

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-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 — — US disclosed
US-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-04-06 — — US disclosed
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-03-09 — — US disclosed
EP-3887353-A1 PANTETHEINE DERIVATIVES AND USES THEREOF Comet Therapeutics, Inc. (US) 2021-10-06 — — EP disclosed
EP-3887381-A2 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF Comet Therapeutics, Inc. (US) 2021-10-06 — — EP disclosed
WO-2020113209-A1 PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 — — WO disclosed
WO-2020113213-A2 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 — — 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 (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-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, NQO1, VKORC1 KDM4E 4362/4885ATM 2837/4885FFAR3 3957/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 KDM4E 4437/4885ATM 3096/4885FFAR3 3975/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 KDM4E 4437/4885ATM 3096/4885FFAR3 3975/4885

“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.

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