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SCHEMBL4441000

SCHEMBL4441000

O=C(O)CN(c1ccc2c(c1)CCN2c1nccc(N2CCNCC2)n1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.43
▸ HSP90AB1 P08238 4/20 0.43
▸ ROCK1 Q13464 3/20 0.35
▸ POLB P06746 2/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NMT1 P30419 1/20 0.32
▸ TP53 P04637 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
Hydrochloric Acid SCHEMBL3303991 0.99 HSP90AA1 (0.43) HSP90AA1HSP90AB1ROCK1POLBHTR6
SCHEMBL13391669 0.90 HSP90AA1 (0.41) HSP90AA1HSP90AB1ROCK1POLBHTR6
SCHEMBL10317000 0.87 HTT (0.42) POLBHTTNPSR1GAAADRB2
SCHEMBL3302811 0.86 POLB (0.37) HSP90AA1HSP90AB1POLBHTR6HTT
SCHEMBL13391555 0.86 HSP90AA1 (0.36) HSP90AA1HSP90AB1POLBHTR6HTT
Hydrochloric Acid SCHEMBL3297336 0.86 POLB (0.36) HSP90AA1HSP90AB1POLBHTR6HTT
Hydrochloric Acid SCHEMBL3298396 0.85 ADRB2 (0.34) HSP90AA1HSP90AB1ROCK1POLBHTR6
Hydrochloric Acid SCHEMBL3299771 0.85 HSP90AA1 (0.36) HSP90AA1HSP90AB1POLBHTR6HTT
SCHEMBL4566047 0.82 HSP90AA1 (0.44) HSP90AA1HSP90AB1HTR6HRH3NMT1
Hydrochloric Acid SCHEMBL3303679 0.81 HSP90AA1 (0.43) HSP90AA1HSP90AB1HTR6HRH3NMT1

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-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 HSP90AA1 2781/4885HSP90AB1 2930/4885ROCK1 712/4885

“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.