SCHEMBL6038596

SCHEMBL6038596

COc1ccc(S([NH])(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 3/20 0.50
SLC40A1 Q9NP59 1/20 0.49
RELA Q04206 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
VCAM1 P19320 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
ALDH3A1 P30838 1/20 0.42
G6PD P11413 1/20 0.42

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
Water SCHEMBL3157352 0.86 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL8960247 0.85 POLB (0.53) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL3919900 0.85 VCAM1 (0.60) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL540736 0.84 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL3906545 0.84 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL6038599 0.84 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL12727381 0.83 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
Hydrochloric Acid SCHEMBL27447923 0.83 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL11091009 0.81 POLB (0.60) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL14519881 0.81 POLB (0.50) POLBMCOLN3ALDH1A1MAPK1SLC40A1

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-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 POLB 4738/4885MCOLN3 1231/4885ALDH1A1 2902/4885

“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.