SCHEMBL19844935

SCHEMBL19844935

CC(C)/N=N/c1ccc(S(=O)(=O)CCOS(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.37
▸ MMP13 P45452 4/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL19851320 0.89 THRB (0.39) THRBMMP13MMP1ALDH1A1CYP3A4
SCHEMBL19844939 0.78 ALDH1A1 (0.43) THRBMMP13MMP1ALDH1A1CYP3A4
SCHEMBL21882103 0.74 MAPT (0.44) PTGS2POLBCYP2D6LMNAMEN1
SCHEMBL12589933 0.72 THRB (0.41) THRBMMP13MMP1ALDH1A1CYP3A4
SCHEMBL14271158 0.72 THRB (0.41) THRBMMP13MMP1ALDH1A1CYP3A4
SCHEMBL19844941 0.70 ALDH1A1 (0.37) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL19851316 0.70 THRB (0.40) THRBMMP13MMP1ALDH1A1CYP3A4
SCHEMBL10617469 0.69 POLB (0.57) THRBMMP13MMP1ALDH1A1POLB
SCHEMBL19851319 0.68 THRB (0.39) THRBMMP13MMP1ALDH1A1CYP3A4
SCHEMBL19844938 0.66 MAPT (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-02-08 — — US 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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR THRB 4321/4885MMP13 278/4885MMP1 258/4885

“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.

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