SCHEMBL7221885

SCHEMBL7221885

Cc1ccccc1S(=O)(=O)NC(=O)Nc1cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.48
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP8 P22894 5/20 0.48
MMP13 P45452 5/20 0.48
CA1 P00915 6/20 0.47
CA9 Q16790 6/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
FBP1 P09467 1/20 0.43
TBXA2R P21731 4/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7240622 0.88 LMNA (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7221503 0.84 LMNA (0.54) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7229882 0.83 GAA (0.50) LMNA
SCHEMBL7228473 0.83 MAPT (0.40) CA1CA9CA2CA12LMNA
SCHEMBL8415189 0.80 CA1 (0.62) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7223994 0.78 POLB (0.36) LMNA
SCHEMBL1201738 0.77 AKR1B1 (0.60) CA1CA9CA2CA12LMNA
SCHEMBL7223364 0.77 POLB (0.45)
SCHEMBL7225299 0.77 ALDH1A1 (0.43) LMNA
SCHEMBL8467038 0.76 ALDH1A1 (0.52) CA1CA9CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US disclosed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US disclosed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP disclosed
EP-0946503-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GmbH (DE) 1999-10-06 EP disclosed
WO-1998028265-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 1998-07-02 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-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors AKR1B1, ALDOA, AKR1C1 MMP1 434/4885MMP2 1461/4885MMP9 1673/4885

“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.