SCHEMBL9988286

SCHEMBL9988286

O=S(=O)(c1ccccc1CCl)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
COMT P21964 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA3 P07451 3/20 0.37
CA6 P23280 3/20 0.37
CA5A P35218 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA13 Q8N1Q1 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
CA4 P22748 2/20 0.37
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
HTR2A P28223 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
SCHEMBL9988003 0.98 PTGDR2 (0.43) CTSBPTGDR2COMTALDH1A1L3MBTL1
SCHEMBL8254111 0.83 LOXL2 (0.46) CTSBPTGDR2COMTALDH1A1L3MBTL1
SCHEMBL1014583 0.83 COMT (0.44) CTSBPTGDR2COMTALDH1A1L3MBTL1
SCHEMBL1016972 0.83 CTSB (0.42) CTSBPTGDR2COMTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4599222 0.81 LOXL2 (0.45) CTSBPTGDR2COMTALDH1A1L3MBTL1
SCHEMBL8230938 0.79 LOXL2 (0.43) CTSBPTGDR2COMTCA12CA1
Hydrochloric Acid SCHEMBL4611724 0.78 LOXL2 (0.42) CTSBPTGDR2COMTCA12CA1
SCHEMBL15676829 0.77 CTSB (0.64) CTSBPTGDR2LOXL2HTR2AALOX5AP
SCHEMBL2651371 0.76 MMP2 (0.50) CTSBPTGDR2CA12CA1CA2
SCHEMBL8254703 0.76 CTSB (0.43) CTSBPTGDR2COMTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
EP-2582374-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS Afraxis, Inc. (US) 2013-04-24 EP disclosed
EP-2580216-A2 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS Afraxis, Inc. (US) 2013-04-17 EP disclosed
WO-2011159945-A2 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2011-12-22 WO disclosed
WO-2011156780-A2 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 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 (2 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 CTSB 1271/4885PTGDR2 1567/4885COMT 3575/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 CTSB 221/4885PTGDR2 1753/4885COMT 1045/4885

“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.