SCHEMBL4490029

SCHEMBL4490029

O=S(=O)(Oc1ccnc2cc(Br)ccc12)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.47
ALK Q9UM73 1/20 0.42
GAK O14976 1/20 0.39
EGFR P00533 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NT5E P21589 1/20 0.33
SYK P43405 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
SCHEMBL3851998 0.89 SLC22A12 (0.56) SLC22A12GAKEGFRESR2SLC22A6
SCHEMBL19643620 0.83 GAK (0.44) GAKESR2
SCHEMBL28544908 0.83 ESR2 (0.47) SLC22A12ESR2LMNASMN1; SMN2CA1
SCHEMBL8501623 0.83 SMN1; SMN2 (0.50) GAKCYP1A2HTTLMNASMN1; SMN2
SCHEMBL3551410 0.81 HTR1A (0.46) GAKLMNASYK
SCHEMBL3576735 0.80 KDR (0.40) SLC22A12ESR2CYP1A2HTTSMN1; SMN2
SCHEMBL14999154 0.79 SRC (0.39) SLC22A12ESR2SMN1; SMN2
SCHEMBL371799 0.78 PDGFRB (0.51)
SCHEMBL28721905 0.77 PTGS1 (0.36) SLC22A12ESR2CA1CA2
SCHEMBL29397704 0.77 PTGS1 (0.36) SLC22A12ESR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12171756-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-12-24 US disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
CN-111793060-B NLRP3 modulators 先天肿瘤免疫公司 2023-06-06 CN disclosed
US-20220257587-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-08-18 US disclosed
US-11344543-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2022-05-31 US disclosed
CN-111793060-A NLRP3 modulators 先天肿瘤免疫公司 2020-10-20 CN disclosed
EP-3652166-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2020-05-20 EP disclosed
US-20200129500-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-04-30 US disclosed
CN-110914258-A NLRP3 modulators 先天肿瘤免疫公司 2020-03-24 CN disclosed
WO-2019014402-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2019-01-17 WO disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1567528-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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 (6 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-20200129500-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD SLC22A12 1098/4885ALK 4810/4885GAK 3111/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 SLC22A12 4600/4885ALK 3158/4885GAK 57/4885
US-20220257587-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD SLC22A12 975/4885ALK 4834/4885GAK 3185/4885
US-11344543-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD SLC22A12 1098/4885ALK 4810/4885GAK 3111/4885
US-12171756-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD SLC22A12 975/4885ALK 4834/4885GAK 3185/4885
US-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 SLC22A12 3549/4885ALK 722/4885GAK 263/4885

“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.