SCHEMBL6266290

SCHEMBL6266290

O=C(NO)C1=CCCCC1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MMP13 P45452 3/20 0.39
MMP2 P08253 2/20 0.39
MMP1 P03956 2/20 0.39
MMP8 P22894 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 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
SCHEMBL27727847 0.87 TSHR (0.41) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL6278988 0.81 MMP13 (0.49) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL871622 0.79 TLR4 (0.50) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL6266739 0.76 MMP9 (0.44) HDAC8MMP13MMP2MMP1MMP8
SCHEMBL27707118 0.72 TAS2R14 (0.43) ALDH1A1MAPTHPGDFKBP1A
SCHEMBL27625061 0.67 HPGD (0.33) HPGDHSD17B10FKBP1A
SCHEMBL27883083 0.65 TLR4 (0.41) HDAC4CA1CA2ALDH1A1MAPT
SCHEMBL28021174 0.65 TSHR (0.44) MMP13MMP2MMP1MMP8CA1
SCHEMBL21234184 0.64 HPGD (0.51) MMP13MMP2MMP1MMP8CA1
SCHEMBL31435683 0.64 CA1 (0.47) MMP13MMP2MMP1MMP8CA1

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
EP-1596846-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP claimed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 US claimed
WO-2004073599-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase AGOURON PHARMACEUTICALS, INC. 2004-11-25 US disclosed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 US disclosed
WO-2004093860-A1 INHIBITORS OF SARS RELATED CORONAVIRUS PROTEINASE PFIZER INC. (US) 2004-11-04 WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 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 (2 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-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same TIMP3, MMP2, MMP7 HDAC1 128/4885HDAC6 102/4885HDAC11 387/4885
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase ACE, ACE2, PRSS3 HDAC1 834/4885HDAC6 1375/4885HDAC11 1675/4885

“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.