SCHEMBL21996563

SCHEMBL21996563

CC1(C)OC(=O)C(C(=O)/C=C/C(=O)O)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PTPN1 P18031 1/20 0.32
POLB P06746 1/20 0.31
ATM Q13315 1/20 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
SCHEMBL4459751 0.76 BACE1 (0.46) BACE1TSHRALDH1A1PTPN1POLB
SCHEMBL1012423 0.71 BACE1 (0.46) BACE1ALDH1A1PTPN1
SCHEMBL31603 0.68 BACE1 (0.44) BACE1TSHRALDH1A1PTPN1POLB
SCHEMBL24309470 0.67 BACE1 (0.42) BACE1PTPN1
SCHEMBL7993286 0.65 BACE1 (0.41) BACE1
Fumaric Acid SCHEMBL16034736 0.63 TSHR (0.43) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL23112308 0.62 BACE1 (0.42) BACE1
SCHEMBL24309312 0.60 AKR1C1 (0.41) BACE1ALDH1A1POLB
SCHEMBL14306611 0.59 GLA (0.36) BACE1TSHRPTPN1
SCHEMBL23458430 0.59 BACE1 (0.39) BACE1TSHRTP53ALDH1A1POLB

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 12 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
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
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 BACE1 4499/4885TSHR 3451/4885TP53 709/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 BACE1 4463/4885TSHR 3245/4885TP53 956/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 BACE1 4463/4885TSHR 3245/4885TP53 956/4885

“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.