SCHEMBL31603

SCHEMBL31603

CCC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ACP1 P24666 2/20 0.33
CDC25B P30305 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL12964968 0.87 BACE1 (0.39) BACE1GLANPSR1HSD17B10ALDH1A1
SCHEMBL7995598 0.86 HSD17B10 (0.52) BACE1GLANPSR1HSD17B10PTPN1
SCHEMBL20351497 0.83 BACE1 (0.41) BACE1GLANPSR1ALDH1A1KDM4E
SCHEMBL28927137 0.83 LMNA (0.54) BACE1GLANPSR1HSD17B10PTPN1
SCHEMBL20826897 0.82 KDM4E (0.50) BACE1GLANPSR1HSD17B10PTPN1
SCHEMBL587175 0.82 ALDH1A1 (0.46) BACE1GLANPSR1ALDH1A1KDM4E
SCHEMBL7243740 0.81 PTPN1 (0.49) BACE1HSD17B10PTPN1ALDH1A1ACP1
SCHEMBL3821085 0.80 BACE1 (0.40) BACE1GLANPSR1ALDH1A1KDM4E
SCHEMBL29663487 0.80 BACE1 (0.40) BACE1GLANPSR1HSD17B10PTPN1
SCHEMBL2995240 0.80 SLC25A5 (0.46) BACE1GLANPSR1PTPN1ALDH1A1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62042975-A None JP 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
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
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-3887381-A2 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF Comet Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-5874589-A Methods for synthesizing diverse collections of tetramic acids and derivatives thereof GLAXO WELLCOME, INC. (US) 1999-02-23 US disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 WO disclosed
US-5232898-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
EP-0434778-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed
WO-1990015057-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1990-12-13 WO disclosed
JP-S6242975-A PRODUCTION OF HETEROCYCLIC COMPOUND NIPPON SODA CO LTD 1987-02-24 JP disclosed
EP-0054970-B1 DERIVATIVES OF 7-BETA-(KETOXIMINOACYLAMIDO)-CEPH-3-EM-4-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS CONTAINING THEM I. S. F. Società per Azioni (IT) 1985-07-17 EP disclosed
US-4465831-A ANTIBIOTICS, BACTERICIDES ISF S.P.A. (IT) 1984-08-14 US disclosed
EP-0054970-A2 Derivatives of 7-beta-(ketoximinoacylamido)-ceph-3-em-4-carboxylic acids, process for their preparation and their pharmaceutical compositions containing them I. S. F. Società per Azioni (IT) 1982-06-30 EP 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 BACE1 4499/4885GLA 760/4885NPSR1 2430/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 BACE1 4463/4885GLA 900/4885NPSR1 2808/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 BACE1 4463/4885GLA 900/4885NPSR1 2808/4885

“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.