SCHEMBL22014717

SCHEMBL22014717

CC(C)c1cc(C#N)cc(Br)c1N

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.44
ALB P02768 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.42
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
ADRB2 P07550 3/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7929939 0.86 TTR (0.37) TTRALBMEN1KMT2AHTT
SCHEMBL19507327 0.82 TTR (0.41) TTRALBMEN1KMT2AHTT
SCHEMBL2670914 0.80 TTR (0.58) TTRALBMEN1KMT2AHTT
SCHEMBL21543585 0.79 ALDH1A1 (0.33) TTRALBHTTGAAMAPT
SCHEMBL17262069 0.78 GABRA1 (0.52) KMT2AHTTGABRA1GABRB1ADRB2
SCHEMBL22014711 0.75 HTT (0.38) HTTMAPT
SCHEMBL3704740 0.75 TTR (0.48) TTRALBMEN1KMT2AHTT
SCHEMBL16936198 0.74 TTR (0.52) TTRALBMEN1KMT2AHTT
SCHEMBL22014708 0.74
SCHEMBL2154261 0.73 TTR (0.39) TTRALBMEN1KMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
US-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 US disclosed
EP-4013762-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS Inflazome Limited (IE) 2022-06-22 EP disclosed
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 CN disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
CN-112584899-A NLRP modulators 诺华股份有限公司 2021-03-30 CN disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 TTR 1313/4885ALB 1834/4885MEN1 4566/4885
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, PYCARD TTR 2343/4885ALB 3271/4885MEN1 3354/4885

“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.