SCHEMBL21996348

SCHEMBL21996348

CC(O)C(C)C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.37
SLC7A5 Q01650 2/20 0.35
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRR1 P24046 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
SCHEMBL28738588 1.00 TP53 (0.50) TP53TSHRSLC7A5RNPEPCYP1A2
SCHEMBL21998212 1.00 TP53 (0.50) TP53TSHRSLC7A5RNPEPCYP1A2
SCHEMBL8583868 0.85 TP53 (0.47) TP53TSHRSLC7A5
SCHEMBL5675218 0.85 TP53 (0.47) TP53TSHRSLC7A5
SCHEMBL8583856 0.85 TP53 (0.47) TP53TSHRSLC7A5
SCHEMBL18211012 0.83 TP53 (0.50) TP53TSHRSLC7A5RNPEPCYP1A2
SCHEMBL1261744 0.83 TP53 (0.50) TP53TSHRSLC7A5RNPEPCYP1A2
SCHEMBL5549445 0.80
SCHEMBL791249 0.80
SCHEMBL2687210 0.80

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 9 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
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-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 TP53 709/4885TSHR 3451/4885SLC7A5 539/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 TP53 956/4885TSHR 3245/4885SLC7A5 1256/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 TP53 956/4885TSHR 3245/4885SLC7A5 1256/4885

“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.