SCHEMBL5167300

SCHEMBL5167300

COc1ccccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
AMY1A P0DUB6 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KCNA5 P22460 1/20 0.46
TAS2R14 Q9NYV8 5/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5164260 0.81 KCNA5 (0.50) ALDH1A1KCNA5TAS2R14
SCHEMBL17895364 0.77 TAS2R14 (0.61) MMP1MMP2MMP9MMP8MMP13
SCHEMBL29484277 0.77 TAS2R14 (0.61) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8865874 0.76 HTR6 (0.68) AMY1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL28762101 0.74 CYP19A1 (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16305334 0.73 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL8170619 0.72 MEN1 (0.58) MMP1MMP2MMP9MMP8MMP13
SCHEMBL23364658 0.70 TAS2R14 (0.66) MMP1MMP2MMP9MMP8MMP13
SCHEMBL28928576 0.70 MAPK1 (0.55) MMP1MMP2MMP9MMP8MMP13
SCHEMBL29932726 0.70 TAS2R14 (0.66) MMP1MMP2MMP9MMP8MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS MMP1 3817/4885MMP2 3865/4885MMP9 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.