SCHEMBL7224282

SCHEMBL7224282

Cc1cc(NS(=O)(=O)c2cccc(F)c2)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ESR1 P03372 1/20 0.43
CYTH2 Q99418 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GBA1 P04062 1/20 0.41
PKM P14618 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
SCHEMBL7223946 0.92 CYTH2 (0.46) PGRKMT2AALDH1A1CYTH2LMNA
SCHEMBL7224301 0.88 KMT2A (0.50) PGRHDAC1HDAC8KMT2AALDH1A1
SCHEMBL7222033 0.88 ALDH1A1 (0.39) HDAC3HDAC1HDAC6KMT2AALDH1A1
SCHEMBL7222885 0.88 ALDH1A1 (0.50) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL7221678 0.87 CYTH2 (0.56) KMT2AALDH1A1CYTH2MAPTPKM
SCHEMBL7222797 0.86 HSD17B2 (0.52) PGRALDH1A1CYTH2MAPTPKM
SCHEMBL7231031 0.86 ALDH1A1 (0.44) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL7224021 0.85 HSD17B2 (0.55) PGRHDAC1HDAC8KMT2ALMNA
SCHEMBL7228550 0.84 FFAR4 (0.53) PGRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7225029 0.83 ALDH1A1 (0.50) KMT2AALDH1A1CYTH2LMNAMAPT

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 14 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
CN-1112356-C Nitromethylthiobenzene derivatives as inhibitors of aldose reductase MERCK PATENT GMBH (DE) 2003-06-25 CN 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
CN-1241997-A Nitromethylthiobenzene derivatives as inhibitors of aldose reductase MERCK PATENT GMBH (DE) 2000-01-19 CN 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
CN-1112356-C Nitromethylthiobenzene derivatives as inhibitors of aldose reductase MERCK PATENT GMBH (DE) 2003-06-25 CN 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
CN-1241997-A Nitromethylthiobenzene derivatives as inhibitors of aldose reductase MERCK PATENT GMBH (DE) 2000-01-19 CN 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 PGR 4395/4885HDAC3 2031/4885HDAC4 2313/4885

“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.