SCHEMBL992209

SCHEMBL992209

[C-]#[N+]C(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
PAX8 Q06710 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL29956006 0.92 GAA (0.45) ACHEBCHEGAAALDH1A1LMNA
SCHEMBL29954673 0.87 GAA (0.38) ACHEBCHEKMT2AGAAPAX8
SCHEMBL15214323 0.86 ACHE (0.41) ACHEBCHEKMT2AGAAPAX8
SCHEMBL29956135 0.84 UTS2R (0.43) ACHEBCHEKMT2AGAAMEN1
SCHEMBL4802706 0.84 RAPGEF4 (0.39) ACHEBCHEKMT2AGAAMEN1
SCHEMBL4799859 0.84 ALDH1A1 (0.42) ACHEBCHEKMT2AGAAMEN1
SCHEMBL408195 0.83 NPY2R (0.47) ACHEBCHEKMT2AGAAMEN1
SCHEMBL29952320 0.83 ALDH1A1 (0.46) ACHEBCHEKMT2AGAAMEN1
SCHEMBL5852069 0.83 PTGS2 (0.41) KMT2AGAAMEN1TP53ALDH1A1
SCHEMBL29955568 0.83 PTGS2 (0.41) KMT2AGAAMEN1TP53ALDH1A1

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020188122-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2002-12-12 US claimed
EP-1227092-A2 Isonitrile intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SmithKline Beecham Corporation (US) 2002-07-31 EP claimed
CN-119954770-A Imidazole compound and application thereof 四川大学 2025-05-09 CN disclosed
CN-113272298-B Compounds and compositions for the treatment of respiratory diseases 天莅生物技术有限公司 2025-04-18 CN disclosed
CN-117747942-A Electrolyte for improving normal temperature cycle performance and lithium ion battery 合肥国轩高科动力能源有限公司 2024-03-22 CN disclosed
EP-4298094-A1 ANALOGS FOR THE TREATMENT OF DISEASE Insilico Medicine IP Limited (HK) 2024-01-03 EP disclosed
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed
CN-117222642-A Analogues for the treatment of disease 英矽智能科技知识产权有限公司 2023-12-12 CN disclosed
US-11498920-B2 4-(1H-imidazol-5-yl)-1H-pyrrolo[2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors MASARYKOVA UNIVERZITA (CZ) 2022-11-15 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022179529-A1 ANALOGS FOR THE TREATMENT OF DISEASE INSILICO MEDICINE IP LIMITED (CN) 2022-09-01 WO disclosed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed
US-5663334-A CYTOKINE INHIBITORS FORMED BY REACTION OF IMINE WITH SULFUR SUBSTITUTED NITRILE SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed
WO-1997023479-A1 NOVEL SYNTHESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-03 WO disclosed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 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-11498920-B2 4-(1H-imidazol-5-yl)-1H-pyrrolo[2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors MALT1, BCL3, MCL1 ACHE 4870/4885BCHE 4848/4885KMT2A 305/4885
US-20020188122-A1 Novel compounds IL2, IFNG, IL1RN ACHE 4842/4885BCHE 4465/4885KMT2A 3953/4885

“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.