SCHEMBL12119293

SCHEMBL12119293

CN(C)C(=O)c1cccc(CNC(=O)c2cccc3cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
APEX1 P27695 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
CCR1 P32246 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLA2G1B P04054 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NAMPT P43490 2/20 0.33
TP53 P04637 1/20 0.33
HCRTR1 O43613 1/20 0.33
S1PR3 Q99500 1/20 0.32

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
SCHEMBL12119239 0.93 EPHX2 (0.38) KMT2AGAAPOLA1
SCHEMBL1322057 0.90 KEAP1 (0.38) APEX1OXTRAVPR1ACCR1MEN1
SCHEMBL12119228 0.89 PTGER1 (0.38) ROCK2ROCK1APEX1CCR1MEN1
SCHEMBL12119699 0.86 RORC (0.42) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL12119461 0.86 HTT (0.46) MEN1KMT2AGAATDP1NAMPT
SCHEMBL12119209 0.85 OXTR (0.39) OXTRAVPR1AMEN1KMT2ACACNA1H
SCHEMBL12119350 0.84 OXTR (0.38) OXTRAVPR1AMEN1KMT2ACYP3A4
SCHEMBL12119299 0.84 KMT2A (0.38) OXTRAVPR1AKMT2AGAAPOLA1
SCHEMBL12119351 0.84 ALDH1A1 (0.43) OXTRAVPR1AMEN1KMT2ATP53
SCHEMBL1321342 0.83 HDAC2 (0.41) OXTRAVPR1AGAALMNACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 ROCK2 3094/4885ROCK1 1914/4885APEX1 3698/4885

“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.