SCHEMBL21996181

SCHEMBL21996181

CCC(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 6/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
MMP15 P51511 1/20 0.35
MMP16 P51512 1/20 0.35
MMP26 Q9NRE1 1/20 0.35
FOLH1 Q04609 1/20 0.33
FFAR1 O14842 1/20 0.33
PGD P52209 1/20 0.33
MMP3 P08254 5/20 0.33
MMP1 P03956 3/20 0.33

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
SCHEMBL28086823 0.90 KMT2A (0.39) CA2CA1MEN1GAAKMT2A
SCHEMBL1803154 0.85 CA2 (0.43) CA2CA1MAPK1MEN1GAA
SCHEMBL7173574 0.85 CHRM1 (0.43) CA2CA1MEN1GAAKMT2A
SCHEMBL7250078 0.85 CHRM1 (0.43) CA2CA1MEN1GAAKMT2A
SCHEMBL18945512 0.84 CA2 (0.37) CA2CA1MAPK1MEN1GAA
SCHEMBL27878047 0.84 CYP2D6 (0.40) CA2CA1MAPK1MEN1GAA
SCHEMBL28486916 0.83 CA2 (0.46) CA2CA1MAPK1MEN1GAA
Water SCHEMBL27597678 0.83 CA2 (0.42) CA2CA1MAPK1MEN1GAA
SCHEMBL8133983 0.82 CYP2D6 (0.39) CA2MEN1GAAKMT2AFOLH1
SCHEMBL29259037 0.82 PGD (0.36) MEN1GAAKMT2AFOLH1PGD

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 15 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-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
CN-116635032-A Compounds and methods for treating ocular disorders 阿祖拉眼科有限公司 2023-08-22 CN 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
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-03-09 US disclosed
CN-113727966-A Panthenol derivatives and use thereof 彗星医疗股份有限公司 2021-11-30 CN disclosed
CN-113727986-A Cyclic panthenol derivative and use thereof 彗星医疗股份有限公司 2021-11-30 CN 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
CN-111777477-B Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2021-09-14 CN disclosed
CN-111777477-A Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2020-10-16 CN disclosed
WO-2020113213-A2 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
WO-2020113209-A1 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 CA2 3083/4885CA1 4289/4885MAPK1 2781/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 CA2 2701/4885CA1 3831/4885MAPK1 2398/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 CA2 2701/4885CA1 3831/4885MAPK1 2398/4885

“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.