Sugi Predict

Sugi Predict / Compounds / SCHEMBL7229260

SCHEMBL7229260

SCHEMBL7229260

Cc1ccccc1CS(=O)(=O)Nc1cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ AKR1B1 P15121 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 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
SCHEMBL7224270 0.90 NR1I2 (0.46) ALDH1A1GAASMN1; SMN2MAPTNR1I2
SCHEMBL7229122 0.87 CYP3A4 (0.42) ALDH1A1AKR1B1GAAMAPTCYP1A2
SCHEMBL7222833 0.86 HPGD (0.47) ALDH1A1MAPTHTTRORCPGR
SCHEMBL7223203 0.84 HPGD (0.39) ALDH1A1MAPTHTTRORCPGR
SCHEMBL7229882 0.80 GAA (0.50) ALDH1A1GAASMN1; SMN2MAPTCYP1A2
SCHEMBL7229403 0.80 AKR1B1 (0.37) AKR1B1SMN1; SMN2RORCMEN1KMT2A
SCHEMBL7231130 0.79 KMT2A (0.40) ALDH1A1MAPTHTTRORCKMT2A
SCHEMBL1201738 0.79 AKR1B1 (0.60) ALDH1A1AKR1B1GAASMN1; SMN2MAPT
SCHEMBL7221678 0.79 CYTH2 (0.56) ALDH1A1GAASMN1; SMN2MAPTHTT
SCHEMBL7221394 0.77 CYP2C9 (0.37) ALDH1A1GAASMN1; SMN2MAPTCYP2C9

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 ALDH1A1 48/4885AKR1B1 1/4885GAA 415/4885

“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.