SCHEMBL7229882

SCHEMBL7229882

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC22A12 Q96S37 2/20 0.43
NR1I2 O75469 1/20 0.39
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN5 P54829 2/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL7228925 0.89 GAA (0.47) GAASMN1; SMN2NR1I2PTPN2PTPN1
SCHEMBL7223683 0.89 GAA (0.50) GAASMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL7230584 0.87 MAPT (0.47) GAASMN1; SMN2ALDH1A1MAPTBRD4
SCHEMBL7525497 0.87 SMN1; SMN2 (0.48) GAASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL7229756 0.86 GAA (0.45) GAASMN1; SMN2ALDH1A1TP53TDP1
SCHEMBL7222855 0.86 SLC22A12 (0.51) GAASMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL7221678 0.86 CYTH2 (0.56) GAASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL7221457 0.84 GAA (0.46) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7221885 0.83 MMP1 (0.48) LMNA
SCHEMBL7223946 0.83 CYTH2 (0.46) GAAALDH1A1MEN1LMNAMAPT

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 7 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-1199074-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of il-12 production WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP disclosed
EP-1188438-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of Il-12 production WARNER-LAMBERT COMPANY (US) 2002-03-20 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 GAA 415/4885SMN1; SMN2 2570/4885ALDH1A1 48/4885

“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.