SCHEMBL4697986

SCHEMBL4697986

NC(=O)COc1ccc(C=O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.42
PDK2 Q15119 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
DPP4 P27487 1/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ERN1 O75460 1/20 0.39
LMNA P02545 1/20 0.39
ACACA Q13085 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL23804143 0.86 MCL1 (0.58) ALDH1A1TDP1L3MBTL1MCL1LMNA
SCHEMBL7682886 0.82 PTGS2 (0.54) ALDH1A1MCL1PDK2TRIM24TYR
SCHEMBL9189704 0.82 MCL1 (0.51) ALDH1A1MCL1PDK2PRKAB2PRKAG1
SCHEMBL8343410 0.82 MCL1 (0.51) ALDH1A1MCL1PDK2PRKAB2PRKAG1
SCHEMBL5577945 0.81 SMN1; SMN2 (0.49) ALDH1A1MCL1PDK2ERN1POLB
SCHEMBL14455038 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1MCL1PDK2PRKAB2
Hydrochloric Acid SCHEMBL30466486 0.80 MCL1 (0.50) ALDH1A1MCL1PDK2PRKAB2PRKAG1
SCHEMBL2562580 0.79 ALDH1A1 (0.61) ALDH1A1L3MBTL1TRIM24TYRTRIM33
SCHEMBL14455036 0.79 NPC1 (0.51) ALDH1A1TDP1L3MBTL1ERN1POLB
SCHEMBL14455040 0.79 LMNA (0.46) ALDH1A1TDP1LMNA

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
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 ALDH1A1 3700/4885TDP1 1500/4885L3MBTL1 3041/4885

“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.