SCHEMBL7225299

SCHEMBL7225299

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
PKM P14618 3/20 0.43
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
IDO1 P14902 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL7223994 0.90 POLB (0.36) ALDH1A1PKMKMT2AMAPTLMNA
SCHEMBL7228473 0.90 MAPT (0.40) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL7223364 0.88 POLB (0.45) ALDH1A1KMT2AMEN1POLBCYP3A4
SCHEMBL8958259 0.87 RAB9A (0.34) ALDH1A1PKMKMT2AMAPTLMNA
SCHEMBL7230766 0.87 POLB (0.42) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL7229750 0.86 PKM (0.62) ALDH1A1PKMKMT2AMAPTLMNA
SCHEMBL8957820 0.86 THRA (0.38) KMT2AMAPTLMNAMEN1SMN1; SMN2
SCHEMBL7225323 0.85 HDAC3 (0.42) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL8957970 0.85 CA12 (0.41) ALDH1A1GAA
SCHEMBL8958011 0.85 POLB (0.33) ALDH1A1KMT2AMAPTLMNAMEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1112356-C Nitromethylthiobenzene derivatives as inhibitors of aldose reductase MERCK PATENT GMBH (DE) 2003-06-25 CN claimed
EP-0408713-B1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-19 EP claimed
EP-0408713-A1 PHENYLSULPHONE DERIVATIVES. ICI PLC (GB) 1991-01-23 EP claimed
WO-1990008761-A1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 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
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5189031-A Inhibitor of enzyme aldose reductase, useful in the treatment of certain peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 EP disclosed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed
EP-0408713-A1 PHENYLSULPHONE DERIVATIVES. ICI PLC (GB) 1991-01-23 EP disclosed
WO-1990008761-A1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 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 48/4885PKM 621/4885KMT2A 4070/4885

“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.