SCHEMBL4759684

SCHEMBL4759684

CCOP(=O)(CC)OC(F)(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
PPARD Q03181 1/20 0.39
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL25229584 0.88 TSHR (0.56) TSHRPPARDTP53TDP1MAPT
SCHEMBL575202 0.81 TSHR (0.58) TSHRPPARDTP53TDP1
SCHEMBL1563927 0.78 TSHR (0.52) TSHRPPARDTP53TDP1
SCHEMBL9770097 0.75 TSHR (0.56) TSHRPPARDTP53TDP1MAPT
SCHEMBL1296882 0.74 TSHR (0.61) TSHRPPARDTP53TDP1
SCHEMBL29739400 0.74 TSHR (0.48) TSHRPPARDTP53TDP1
SCHEMBL26483 0.74 TSHR (1.00) TSHRPPARDTP53TDP1
SCHEMBL5961215 0.74 TSHR (1.00) TSHRPPARDTP53TDP1
SCHEMBL4758287 0.73 TSHR (0.75) TSHRPPARDTP53TDP1
SCHEMBL29723046 0.72 TSHR (0.65) TSHRPPARDTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435841-B2 Preparation of halohydrocarbyl phosphonic acid diesters RHODIA INC. (US) 2008-10-14 US disclosed
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 US disclosed
EP-1615937-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2006-01-18 EP disclosed
WO-2005086961-A2 IMPROVED PREPARATION OF HALOHYDROCCARBYL PHOSPHONIC ACID DIESTRES RHODIA INC. (US) 2005-09-22 WO disclosed
US-20050203306-A1 Preparation of halohydrocarbyl phosphonic acid diesters RHODIA OPERATIONS (FR) 2005-09-15 US disclosed
WO-2004092188-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-10-28 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-20050203306-A1 Preparation of halohydrocarbyl phosphonic acid diesters HDHD5, PHYKPL, HPD TSHR 2066/4885PPARD 274/4885TP53 3640/4885
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 TSHR 2595/4885PPARD 895/4885TP53 4632/4885

“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.