SCHEMBL7222033

SCHEMBL7222033

Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CYTH2 Q99418 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GBA1 P04062 1/20 0.35
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 4/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7222885 0.90 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AFFAR4
SCHEMBL7224282 0.88 PGR (0.44) ALDH1A1LMNAMAPTKMT2ACYTH2
SCHEMBL7231031 0.85 ALDH1A1 (0.44) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL7221517 0.84 CA1 (0.41) MAPTTSHRGAASMN1; SMN2POLB
SCHEMBL7225029 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AFFAR4
SCHEMBL7221678 0.83 CYTH2 (0.56) ALDH1A1MAPTKMT2AFFAR4CYTH2
SCHEMBL7223946 0.83 CYTH2 (0.46) ALDH1A1LMNAMAPTKMT2ACYTH2
SCHEMBL7221797 0.83 CYTH2 (0.43) ALDH1A1MAPTKMT2ACYTH2GAA
SCHEMBL7223197 0.82 GAA (0.47) ALDH1A1MAPTKMT2ACYTH2GAA
SCHEMBL7222407 0.82 FFAR4 (0.49) ALDH1A1MAPTKMT2AFFAR4CYTH2

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 10 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 claimed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US claimed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP claimed
EP-0946503-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GmbH (DE) 1999-10-06 EP claimed
WO-1998028265-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 1998-07-02 WO claimed
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 ALDH1A1 48/4885LMNA 2328/4885MAPT 121/4885

“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.