SCHEMBL25098960

SCHEMBL25098960

CC(C)(C)O[C@H](CC(=O)O)C[N+](C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 4/20 0.49
MAPT P10636 4/20 0.48
MAPK1 P28482 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GMNN O75496 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HSP90AA1 P07900 2/20 0.47
BLM P54132 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
GLA P06280 1/20 0.46
PMP22 Q01453 1/20 0.46
HRH1 P35367 1/20 0.41
CYP2C19 P33261 1/20 0.39

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
SCHEMBL25098996 1.00 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL25099529 0.85 LMNA (0.54) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL25099813 0.85 LMNA (0.54) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL26797492 0.85 CYP1A2 (0.44) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL26797493 0.85 CYP1A2 (0.44) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL26797589 0.83 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL26797590 0.83 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL25098965 0.81 LMNA (0.50) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL25099310 0.81 LMNA (0.50) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL25099541 0.81 LMNA (0.50) LMNASMN1; SMN2CYP1A2MAPTMAPK1

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 5 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
CN-110997624-B Methods and compositions relating to carnitine derived materials 韦恩州立大学 2024-05-24 CN disclosed
US-20230348506-A1 MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-11-02 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-110997624-A Methods and compositions related to carnitine-derived materials 韦恩州立大学 2020-04-10 CN 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-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 LMNA 1802/4885SMN1; SMN2 3480/4885CYP1A2 503/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 LMNA 1802/4885SMN1; SMN2 3480/4885CYP1A2 503/4885
US-20230348506-A1 MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, VKORC1L1 LMNA 1694/4885SMN1; SMN2 2806/4885CYP1A2 528/4885

“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.