SCHEMBL8921055

SCHEMBL8921055

CC(=O)C=C(N)C(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8921049 1.00 MAPT (0.38) MAPTPKMLMNAALOX15BLM
SCHEMBL18425941 0.80 MAPT (0.38) MAPTPKMLMNABLMPMP22
SCHEMBL18425940 0.78 MAPT (0.37) MAPTPKMLMNABLMPMP22
SCHEMBL14776189 0.78 MAPT (0.40) MAPTPKMALDH1A1TP53TSHR
SCHEMBL14776192 0.78 MAPT (0.40) MAPTPKMALDH1A1TP53TSHR
SCHEMBL24899669 0.76 LMNA (0.37) LMNAALOX15BLMPMP22ALDH1A1
SCHEMBL14776209 0.76 ALDH1A1 (0.40) MAPTPKMALDH1A1TP53TSHR
SCHEMBL14776211 0.76 ALDH1A1 (0.40) MAPTPKMALDH1A1TP53TSHR
SCHEMBL8923357 0.73 HCAR2 (0.40) MAPTPKMTSHR
SCHEMBL8752313 0.73 HCAR2 (0.40) MAPTPKMTSHR

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-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2020-02-25 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
EP-3328868-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS The University of Manchester (GB) 2018-06-06 EP disclosed
WO-2017017469-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-02 WO disclosed
US-5614351-A Radiation-curable mixture, and radiation-sensitive recording material produced therefrom for high-energy radiation HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5217843-A Containing acid cleavable compound and compound that forms acid when subjected to high energy radiation HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-08 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 (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-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors NLRP3, IL1B, NOD1 MAPT 848/4885PKM 2708/4885LMNA 714/4885
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, IL1B, NOD1 MAPT 848/4885PKM 2708/4885LMNA 714/4885

“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.