SCHEMBL23319855

SCHEMBL23319855

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.54
▸ HPGD P15428 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ HTT P42858 3/20 0.43
▸ AMY1A P0DUB6 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MLNR O43193 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL24116100 0.81 CA12 (0.43) HPGDL3MBTL1HTTLMNAMEN1
SCHEMBL23319828 0.81 CA12 (0.40) ALPLHTTMEN1KMT2AALDH1A1
SCHEMBL29909995 0.81 RAPGEF3 (0.40) ALPLMEN1KMT2AMAPTALDH1A1
SCHEMBL23319836 0.81 RAPGEF3 (0.40) ALPLMEN1KMT2AMAPTALDH1A1
SCHEMBL28758462 0.79 CA2 (0.53) L3MBTL1HTTLMNAMEN1KMT2A
SCHEMBL5151785 0.76 ALPL (0.58) ALPLHPGDL3MBTL1HTTPOLB
SCHEMBL16305322 0.76 ALPL (0.60) ALPLHPGDL3MBTL1HTTPOLB
SCHEMBL8866433 0.75 HPGD (0.60) ALPLHPGDL3MBTL1HTTLMNA
SCHEMBL15496620 0.74 L3MBTL1 (0.74) ALPLHPGDL3MBTL1HTTAMY1A
SCHEMBL14676725 0.74 ALPL (0.53) ALPLHPGDL3MBTL1HTTPOLB

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-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 — — US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 — — US disclosed
CN-113613721-A NLRP modulators 诺华股份有限公司 2021-11-05 — — CN disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 — — EP disclosed
EP-3817815-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

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-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 ALPL 4547/4885HPGD 3018/4885L3MBTL1 4774/4885
US-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 ALPL 3939/4885HPGD 2768/4885L3MBTL1 4865/4885

“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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