SCHEMBL694640

SCHEMBL694640

O=C(O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 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
SCHEMBL19857415 0.79 EPHX2 (0.58) EPHX2GAAL3MBTL1TSHRALDH1A1
SCHEMBL17557665 0.79 CTSK (0.50) EPHX2GAA
SCHEMBL17591906 0.78 MEN1 (0.43) EPHX2GAAMEN1KMT2AL3MBTL1
SCHEMBL13003444 0.77 CNR1 (0.38) EPHX2GAA
SCHEMBL7310251 0.77 TSHR (0.51) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL2937346 0.77 TP53 (0.58) EPHX2L3MBTL1TSHRALDH1A1POLB
SCHEMBL27033460 0.77 EPHX2 (0.58) EPHX2MEN1KMT2AL3MBTL1TSHR
SCHEMBL18547134 0.76 ALDH1A1 (0.42) EPHX2L3MBTL1ALDH1A1
SCHEMBL20482733 0.75 TSHR (0.44) EPHX2GAAMEN1KMT2AL3MBTL1
SCHEMBL2680036 0.74 CNR1 (0.33) EPHX2GAA

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
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 EP disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 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-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS EPHX2 1215/4885GAA 3828/4885MEN1 1630/4885

“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.