SCHEMBL476502

SCHEMBL476502

CCOC(=O)c1cc(S(=O)(=O)c2ccc(OC)cc2)n(-c2cccnc2F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
CHRNA7 P36544 2/20 0.42
POLB P06746 3/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL476450 0.92 CHRNA7 (0.50) TP53CHRNA7CA9MEN1KMT2A
SCHEMBL3694089 0.91 NFE2L2 (0.41) TP53CHRNA7POLBCA9ALDH1A1
SCHEMBL3691249 0.91 CA9 (0.46) TP53CHRNA7POLBCA9MEN1
SCHEMBL476397 0.86 CHRNA7 (0.40) TP53CHRNA7CA9MEN1KMT2A
SCHEMBL476334 0.84 CHRNA7 (0.39) TP53CHRNA7CA9MEN1KMT2A
SCHEMBL476443 0.82 CA1 (0.45) CA9MMP2MMP9MMP8MMP13
SCHEMBL476396 0.80 TP53 (0.46) TP53POLBMEN1KMT2AL3MBTL1
SCHEMBL3707095 0.79 CA9 (0.46) TP53CHRNA7POLBCA9MEN1
SCHEMBL476464 0.79 NFE2L2 (0.41) POLBMEN1KMT2ATDP1MMP2
SCHEMBL3692589 0.79 NPSR1 (0.45) TP53CHRNA7POLBCA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 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 (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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR TP53 4548/4885CHRNA7 2192/4885POLB 4231/4885

“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.