SCHEMBL1980280

SCHEMBL1980280

CCOC(=O)c1cc(CO)nn1-c1ncccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
PDE4B Q07343 1/20 0.41
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JMJD6 Q6NYC1 1/20 0.37
BRD4 O60885 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37

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
SCHEMBL29215224 0.92 ALDH1A1 (0.47) ALDH1A1PDE4BHSD11B1SMN1; SMN2ELANE
SCHEMBL30234226 0.92 ALDH1A1 (0.47) ALDH1A1PDE4BHSD11B1SMN1; SMN2ELANE
SCHEMBL13072306 0.90 ALDH1A1 (0.45) ALDH1A1PDE4BHSD11B1SMN1; SMN2POLB
SCHEMBL25082886 0.90 ALDH1A1 (0.45) ALDH1A1PDE4BHSD11B1SMN1; SMN2POLB
SCHEMBL340847 0.88 MALT1 (0.38) ALDH1A1SMN1; SMN2POLBKDM4ENPC1
SCHEMBL13101581 0.88 KDM4E (0.43) ALDH1A1SMN1; SMN2POLBKDM4ENPC1
SCHEMBL30234732 0.88 ALDH1A1 (0.43) ALDH1A1PDE4BHSD11B1SMN1; SMN2POLB
SCHEMBL29215253 0.88 ALDH1A1 (0.43) ALDH1A1PDE4BHSD11B1SMN1; SMN2POLB
SCHEMBL951462 0.87 SMN1; SMN2 (0.52) ALDH1A1PDE4BHSD11B1SMN1; SMN2POLB
SCHEMBL29558577 0.87 ALDH1A1 (0.48) ALDH1A1PDE4BHSD11B1SMN1; SMN2POLB

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
US-8586753-B2 Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-8586753-B2 Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP disclosed
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP disclosed
EP-2513063-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2012-10-24 EP disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011073101-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-23 WO disclosed
WO-2011073101-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (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-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives AADAC, CYP4X1, CYP4Z1 ALDH1A1 317/4885PDE4B 636/4885HSD11B1 1852/4885

“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.