SCHEMBL12264385

SCHEMBL12264385

COC(=O)c1c(C(C)C)nn(-c2ccc(F)cc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
GCGR P47871 1/20 0.46
PTGS2 P35354 3/20 0.45
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC34A1 Q06495 1/20 0.42
PDE4D Q08499 3/20 0.41
P2RX7 Q99572 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14482134 0.85 PPARA (0.56) PPARAPTGS2P2RX7ALDH1A1LMNA
SCHEMBL12265091 0.83 PDE4D (0.58) PTGS2KDM4EL3MBTL1SLC34A1PDE4D
SCHEMBL2564655 0.81 PPARA (0.46) PPARAPTGS2KDM4EL3MBTL1SLC34A1
SCHEMBL15153236 0.80 ALDH1A1 (0.55) PTGS2KDM4EL3MBTL1SLC34A1PDE4D
SCHEMBL12264383 0.79 PDE4D (0.47) PTGS2KDM4EL3MBTL1SLC34A1PDE4D
SCHEMBL14553207 0.79 PDE4D (0.50) PTGS2KDM4EL3MBTL1SLC34A1PDE4D
SCHEMBL12266474 0.77 ALDH1A1 (0.64) PDE4DHPGDALDH1A1MAPTLMNA
SCHEMBL15153194 0.77 ALDH1A1 (0.52) PTGS2KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL15153289 0.74 ALDH1A1 (0.64) PDE4DHPGDALDH1A1MAPTLMNA
SCHEMBL15153303 0.73 ALDH1A1 (0.48) PTGS2KDM4EL3MBTL1SLC34A1PDE4D

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-2552895-B1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES Westfälische Wilhelms Universität Münster (DE) 2015-02-25 EP disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
WO-2011120861-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2011-10-06 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 PPARA 176/4885GCGR 2192/4885PTGS2 1212/4885

“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.