SCHEMBL6339307

SCHEMBL6339307

CNC(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
TRPV1 Q8NER1 1/20 0.49
ESRRG P62508 5/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
DDX3X O00571 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MGLL Q99685 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
PDE3B Q13370 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
SCHEMBL4072382 0.84 TP53 (0.61) NLRP3TRPV1MEN1KMT2ADDX3X
SCHEMBL8930 0.82 ALDH1A1 (0.59) NLRP3TRPV1ESRRGESR1ESR2
SCHEMBL6333817 0.82 NLRP3 (0.52) NLRP3TRPV1ESRRGESR1ESR2
SCHEMBL6353545 0.82 CA12 (0.61) NLRP3TRPV1ESRRGESR1ESR2
SCHEMBL2564353 0.80 TRPV1 (0.52) NLRP3TRPV1ESRRGESR1ESR2
SCHEMBL6349825 0.80 TP53 (0.73) NLRP3ESR2ALDH1A1MEN1KMT2A
SCHEMBL3783971 0.79 NLRP3 (0.59) NLRP3TRPV1ESRRGESR1ESR2
SCHEMBL2554968 0.79 ALDH1A1 (0.57) NLRP3TRPV1ALDH1A1MEN1KMT2A
SCHEMBL16516375 0.79 CNR1 (0.63) NLRP3TRPV1ALDH1A1MEN1KMT2A
SCHEMBL15150648 0.79 TRPV1 (0.55) NLRP3TRPV1ESRRGESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040091-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS UNITED STATES GOVERNMENT 2021-02-11 US disclosed
US-6967197-B2 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-22 US disclosed
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 US disclosed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO disclosed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20210040091-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS HSPA5, ATP2A1, DNAJC10 NLRP3 3719/4885TRPV1 925/4885ESRRG 460/4885
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors MMP9, MMP1, MMP3 NLRP3 1935/4885TRPV1 2687/4885ESRRG 1558/4885

“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.