SCHEMBL4137256

SCHEMBL4137256

CN(CC1(OC=O)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
PDK2 Q15119 1/20 0.31
ASGR1 P07306 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL30829440 0.80 ASGR1 (0.32) PDK2ASGR1
SCHEMBL6795328 0.80 FPR3 (0.34) FPR3FPR2PDK2
SCHEMBL31703654 0.75 HDAC6 (0.33) FPR3FPR2HDAC6PDK2ASGR1
SCHEMBL15125117 0.73 ASGR1 (0.31) FPR3FPR2HDAC6ASGR1NFKB1
SCHEMBL23282418 0.72 ASGR1 (0.40) FPR3FPR2HDAC6PDK2ASGR1
SCHEMBL15116573 0.72 CYP4F2 (0.33) FPR3FPR2HDAC6PDK2ASGR1
SCHEMBL4144702 0.72 HDAC6 (0.30) HDAC6
SCHEMBL4137259 0.72 PDK2 (0.32) FPR3FPR2HDAC6PDK2ASGR1
SCHEMBL499275 0.72 HDAC6 (0.38) HDAC6PDK2ASGR1NFKB1NFKB2
SCHEMBL4150342 0.72 SLC6A2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B FPR3 992/4885FPR2 938/4885HDAC6 316/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B FPR3 952/4885FPR2 887/4885HDAC6 321/4885

“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.