SCHEMBL21996203

SCHEMBL21996203

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nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
KCNH2 Q12809 1/20 0.52
VNN1 O95497 13/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.37
NAA50 Q9GZZ1 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21996198 1.00 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20NAA50
SCHEMBL21996248 0.89 PTGS1 (0.54) PTGS1KCNH2VNN1ZDHHC20MEN1
SCHEMBL21996249 0.89 PTGS1 (0.54) PTGS1KCNH2VNN1ZDHHC20MEN1
SCHEMBL19832435 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20NAA50
SCHEMBL16685028 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20NAA50
SCHEMBL7761533 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20MEN1
SCHEMBL7760567 0.88 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20MEN1
SCHEMBL21996513 0.87 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20ALDH1A1
SCHEMBL21996263 0.86 PTGS1 (0.51) PTGS1KCNH2VNN1ZDHHC20ALDH1A1
SCHEMBL22057169 0.86 PTGS1 (0.51) PTGS1KCNH2VNN1ZDHHC20MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-04-06 US disclosed
EP-3887353-A1 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PTGS1 1468/4885KCNH2 3526/4885VNN1 1/4885

“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.