SCHEMBL6465187

SCHEMBL6465187

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nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.69
KCNH2 Q12809 1/20 0.69
VNN1 O95497 13/20 0.51
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP7 Q9UHL4 1/20 0.34
RRM1 P23921 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 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
SCHEMBL7042139 1.00 PTGS1 (0.69) PTGS1KCNH2VNN1MEN1USP2
SCHEMBL18812079 0.91 PTGS1 (0.58) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL24093831 0.91 PTGS1 (0.58) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL13326327 0.91 PTGS1 (0.58) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL17742153 0.89 PTGS1 (0.75) PTGS1KCNH2VNN1DPP7
SCHEMBL7044206 0.88 PTGS1 (0.79) PTGS1KCNH2VNN1MEN1USP2
SCHEMBL7044200 0.88 PTGS1 (0.79) PTGS1KCNH2VNN1MEN1USP2
SCHEMBL7045827 0.88 PTGS1 (0.79) PTGS1KCNH2VNN1MEN1USP2
SCHEMBL7044196 0.88 PTGS1 (0.79) PTGS1KCNH2VNN1MEN1USP2
SCHEMBL7045821 0.88 PTGS1 (0.79) PTGS1KCNH2VNN1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215496-B1 PANTOTHENAMIDE ANALOGUES RADBOUD UNIV MEDISCH CENTRUM (NL) 2019-01-02 EP disclosed
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
WO-2016072854-A2 PANTOTHENAMIDE ANALOGUES RADBOUD UNIVERSITAIR MEDISCH CENTRUM (NL) 2016-05-12 WO disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-2900633-A1 ALPHA HYDROXY AMIDES Merck Patent GmbH (DE) 2015-08-05 EP disclosed
CN-104703965-A Alpha hydroxy amides MERCK PATENT GMBH 2015-06-10 CN disclosed
US-8969576-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
EP-1495034-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2005-01-12 EP disclosed
US-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 US disclosed
WO-2003087040-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 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 (2 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-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses COASY, HMGCR, ACACA PTGS1 507/4885KCNH2 3333/4885VNN1 95/4885
US-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 PTGS1 271/4885KCNH2 1654/4885VNN1 2285/4885

“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.