SCHEMBL2371044

SCHEMBL2371044

CCCC(=O)CP(=O)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 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
SCHEMBL18250731 0.86 TSHR (0.55) TSHRPPARDTP53TDP1MAPT
SCHEMBL7616579 0.86 KMT2A (0.44) TSHRPPARDALDH1A1TDP1MAPT
SCHEMBL4942141 0.84 KMT2A (0.47) TSHRPPARDALDH1A1TDP1MAPT
SCHEMBL10431817 0.84 KMT2A (0.47) TSHRPPARDALDH1A1TDP1MAPT
SCHEMBL1497353 0.83 TSHR (0.43) TSHRPPARDTP53TDP1MAPT
SCHEMBL712616 0.82 TSHR (0.50) TSHRPPARDTP53TDP1MAPT
SCHEMBL16319152 0.82 PPARD (0.50) TSHRPPARDTP53TDP1MAPT
SCHEMBL9077173 0.80 TSHR (0.48) TSHRPPARDALDH1A1MAPTCA12
SCHEMBL10826323 0.80 LMNA (0.38) TSHRALDH1A1CES2CES1FFAR3
SCHEMBL16319001 0.79 PPARD (0.47) TSHRPPARDMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 CN disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed
WO-2011098808-A1 SANGLIFEHRIN BASED COMPOUNDS BIOTICA TECHNOLOGY LIMITED (GB) 2011-08-18 WO disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 TSHR 2738/4885PPARD 4093/4885ALDH1A1 2914/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 TSHR 2738/4885PPARD 4093/4885ALDH1A1 2914/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 TSHR 2738/4885PPARD 4093/4885ALDH1A1 2914/4885

“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.