SCHEMBL4878508

SCHEMBL4878508

O=C(O)c1ccn(S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.71
AKR1C1 Q04828 1/20 0.71
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.41
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP2D6 P10635 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL6004247 0.84 AKR1C3 (0.64) AKR1C3AKR1C1ALDH1A1PKMALOX15
SCHEMBL23012370 0.83 AKR1C3 (0.52) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL6003811 0.82 ALDH1A1 (0.65) AKR1C3AKR1C1ALDH1A1NPSR1ALOX15
SCHEMBL4677344 0.81 AKR1C3 (0.50) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL9801780 0.79 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL22290631 0.77 AKR1C3 (0.51) AKR1C3AKR1C1ALDH1A1KDM4EALOX15
SCHEMBL5352054 0.77 AKR1C3 (0.51) AKR1C3AKR1C1KDM4EALOX15CYP2C19
SCHEMBL2762763 0.75 ALDH1A1 (0.66) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL4252110 0.75 ALDH1A1 (0.47) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL27430260 0.75 ALDH1A1 (0.50) AKR1C3AKR1C1ALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2008-04-17 US disclosed
EP-1794130-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032852-A1 PYRAZOLE COMPOUNDS USEFUL UIN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 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-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 AKR1C3 126/4885AKR1C1 266/4885ALDH1A1 563/4885

“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.