SCHEMBL187765

SCHEMBL187765

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nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
THPO P40225 1/20 0.32

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
Phosphoric Acid SCHEMBL4422055 0.91
SCHEMBL6572368 0.77
SCHEMBL300999 0.75 CYP2C9 (0.32) TSHR
SCHEMBL9129538 0.72 TSHR (0.39) TSHRTHPO
SCHEMBL427360 0.71
SCHEMBL15313305 0.69 TSHR (0.33) TSHRTHPO
SCHEMBL5462080 0.69 TSHR (0.31) TSHR
SCHEMBL15173202 0.69 TSHR (0.31) TSHR
SCHEMBL844108 0.67
SCHEMBL21954760 0.67 TSHR (0.38) TSHRTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013078554-A1 COMPOSITIONS OF TIGECYCLINE AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2013-06-06 WO claimed
EP-1858504-B1 CARNITINE-CONTAINING PERITONEAL DIALYSIS SOLUTION HAVING IMPROVED BIOCOMPATIBILITY SIGMA TAU IND FARMACEUTI (IT) 2012-01-04 EP claimed
US-5876916-A ADMINISTRATION OF GLYCEROL-PYRUVATE OR HYDROXYACETONE PYRUVATE ESTER WITH BIOCOMPATIBLE CARRIER TO MAMMALS; AS HIGH CALORIE FOOD, ANTICHOLESTEROL AGENTS, ANTIISHEMIC AGENTS, ORGAN PRESERVATIVE, ANTIDIABETIC AGENTS CASE WESTERN RESERVE UNIVERSITY (US) 1999-03-02 US claimed
EP-0888267-A1 NOVEL PYRUVATE COMPOUNDS AND METHODS FOR USE THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 1999-01-07 EP claimed
WO-1997034856-A1 NOVEL PYRUVATE COMPOUNDS AND METHODS FOR USE THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 1997-09-25 WO claimed
WO-2014029016-A1 COMPOSITIONS COMPRISING A GLYCYLCYCLINE AND A TYROSINE KINASE INHIBITOR FOR TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2014-02-27 WO disclosed
WO-2013078554-A1 COMPOSITIONS OF TIGECYCLINE AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2013-06-06 WO disclosed
US-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US disclosed
US-4158057-A ADMINISTERING A MIXTURE OF PYRUVATE AND DIHYDROXYACETONE STANKO RONALD T 1979-06-12 US 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-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 TSHR 2087/4885THPO 1810/4885
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 TSHR 1905/4885THPO 3678/4885

“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.