SCHEMBL3301322

SCHEMBL3301322

NC(=O)c1cccc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cccc(Cl)c4)ccc32)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.59
PIM1 P11309 1/20 0.59
PIM3 Q86V86 1/20 0.59
RORC P51449 3/20 0.49
HPGD P15428 1/20 0.42
HCRTR2 O43614 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
PGR P06401 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL3299974 0.94 ROCK2 (0.54) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3304658 0.90 RORC (0.46) ROCK2PIM1PIM3RORCHPGD
SCHEMBL13390746 0.88 ROCK2 (0.53) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3300774 0.83 ROCK2 (0.42) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3301282 0.83 ROCK2 (0.44) ROCK2PIM1PIM3RORCHPGD
SCHEMBL13390655 0.82 ROCK2 (0.49) ROCK2PIM1PIM3RORCHPGD
SCHEMBL3301538 0.80 ROCK2 (0.54) ROCK2PIM1PIM3RORCHPGD
SCHEMBL13391323 0.80 HPGD (0.47) ROCK2PIM1PIM3HPGDALDH1A1
SCHEMBL13390458 0.80 RORC (0.45) ROCK2PIM1PIM3RORCHPGD
Hydrochloric Acid SCHEMBL3295564 0.80 HPGD (0.47) ROCK2PIM1PIM3HPGDALDH1A1

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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ROCK2 1978/4885PIM1 600/4885PIM3 981/4885

“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.