SCHEMBL7228550

SCHEMBL7228550

COc1cccc(S(=O)(=O)Nc2cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.53
PGR P06401 3/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
PKM P14618 2/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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 0.90 CYTH2 (0.46) PGRLMNAALDH1A1HTTGAA
SCHEMBL7230408 0.89 PKM (0.59) FFAR4LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL7224301 0.86 KMT2A (0.50) PGRLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7221678 0.85 CYTH2 (0.56) FFAR4ALDH1A1SMN1; SMN2HTTGAA
SCHEMBL7224282 0.84 PGR (0.44) PGRLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL7222797 0.84 HSD17B2 (0.52) PGRALDH1A1SMN1; SMN2PKM
SCHEMBL7222402 0.83 PKM (0.60) PGRLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7224021 0.81 HSD17B2 (0.55) FFAR4PGRLMNAHTTGAA
SCHEMBL7225029 0.81 ALDH1A1 (0.50) FFAR4LMNAALDH1A1HTTGAA
SCHEMBL7226067 0.81 PKM (0.61) LMNAALDH1A1SMN1; SMN2GAAMEN1

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 FFAR4 2779/4885PGR 4395/4885TRPM8 4076/4885

“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.