SCHEMBL4932600

SCHEMBL4932600

CCOC(=O)c1cc(-c2ccc(OS(=O)(=O)C(F)(F)F)cn2)n(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.52
FAAH O00519 3/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
BCL2 P10415 1/20 0.48
MDM2 Q00987 1/20 0.48
MCL1 Q07820 1/20 0.48
CHRNA7 P36544 2/20 0.46
MGLL Q99685 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL4927603 0.92 KMT2A (0.49) CA9FAAHTP53KMT2AGAA
SCHEMBL5269424 0.90 CA9 (0.46) CA9FAAHTP53KMT2AGAA
SCHEMBL5521982 0.89 ALDH1A1 (0.48) CA9FAAHTP53KMT2AGAA
SCHEMBL5162940 0.87 MDM2 (0.51) KMT2ABCL2MDM2MCL1MEN1
SCHEMBL4927623 0.83 MDM2 (0.57) CA9FAAHTP53KMT2AGAA
SCHEMBL4930082 0.82 KMT2A (0.55) CA9FAAHTP53KMT2AGAA
SCHEMBL4923024 0.79 KMT2A (0.52) CA9FAAHTP53KMT2AGAA
SCHEMBL5163560 0.79 MARS1 (0.46) KMT2ABCL2MDM2MCL1MEN1
SCHEMBL27668640 0.79 RPA1 (0.42) KMT2ABCL2MDM2MCL1MEN1
SCHEMBL16597799 0.78 KMT2A (0.55) CA9TP53KMT2AGAABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 CA9 1503/4885FAAH 2841/4885TP53 3440/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3499/4885FAAH 63/4885TP53 4689/4885

“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.