SCHEMBL6929371

SCHEMBL6929371

O=[N+]([O-])c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.53
CYP19A1 P11511 1/20 0.50
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MMP2 P08253 3/20 0.45
CA14 Q9ULX7 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44

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
SCHEMBL6923978 0.88 CA2 (0.59) CA2CA9CA12LMNAMAPT
SCHEMBL29168813 0.77 CYP19A1 (0.43) EEF2KCYP19A1CA2CA9CA12
SCHEMBL4950680 0.74 ALDH1A1 (0.62) CA2CA9CA12LMNAMAPT
SCHEMBL4950672 0.74 ALDH1A1 (0.62) CA2CA9CA12LMNAMAPT
SCHEMBL4596394 0.74 CA2 (0.66) CA2CA9CA12LMNAMAPT
SCHEMBL439543 0.72 CA1 (0.60) CA2CA9LMNAMAPTALDH1A1
SCHEMBL1491474 0.72 SLC1A3 (0.59) CA2CA9CA12LMNAMAPT
SCHEMBL1491472 0.72 SLC1A3 (0.59) CA2CA9CA12LMNAMAPT
Hydrochloric Acid SCHEMBL18246767 0.71 CYP19A1 (0.54) CYP19A1CA2CA9LMNAMAPT
SCHEMBL27947182 0.71 CA1 (0.61) CA2CA9CA12LMNAMAPT

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
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 US 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-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC EEF2K 2562/4885CYP19A1 1518/4885CA2 644/4885

“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.