Sugi Predict

Sugi Predict / Compounds / SCHEMBL2476076

SCHEMBL2476076

SCHEMBL2476076

O=C(O)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.68
▸ CA2 P00918 1/20 0.68
▸ MMP1 P03956 1/20 0.68
▸ MMP2 P08253 1/20 0.68
▸ MMP9 P14780 1/20 0.68
▸ MMP8 P22894 1/20 0.68
▸ MMP13 P45452 1/20 0.68
▸ THRB P10828 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ F2 P00734 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57
▸ ALKBH2 Q6NS38 1/20 0.57
▸ ALKBH5 Q6P6C2 1/20 0.57
▸ ALKBH3 Q96Q83 1/20 0.57
▸ FTO Q9C0B1 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57

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
SCHEMBL2476078 1.00 CA1 (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL15524944 0.85 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL2972420 0.85 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL16549667 0.85 THRB (0.73) CA1CA2MMP1MMP2MMP9
SCHEMBL17943495 0.83 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL6848738 0.81 CA1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL27590392 0.81 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL8224048 0.81 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL7827745 0.80 MMP1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL18114379 0.80 MMP1 (0.62) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 — — US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 — — US disclosed
US-20210401814-A1 MACROCYCLIC TYROSINE KINASE INHIBITOR AND USES THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2021-12-30 — — US disclosed
EP-3878854-A1 MACROCYCLIC TYROSINE KINASE INHIBITOR AND USES THEREOF Shandong Xuanzhu Pharma Co., Ltd. (CN) 2021-09-15 — — EP disclosed
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 — — US disclosed
EP-3710448-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 — — EP disclosed
EP-3710450-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 — — EP disclosed
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 — — US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 — — EP disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 — — WO disclosed
EP-2370444-A1 [4- (1-AMINO-ETHYL) -CYCLOHEXYL]-METHYL-AMINES AS ANTIBACTERIALS AstraZeneca AB (SE) 2011-10-05 — — EP disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 — — EP disclosed
WO-2010055348-A1 [4- (1-AMINO-ETHYL) -CYCLOHEXYL] -METHYL-AMINES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2010-05-20 — — WO disclosed
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 — — US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 — — US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 — — 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 (8 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 CA1 3460/4885CA2 1474/4885MMP1 139/4885
US-20210401814-A1 MACROCYCLIC TYROSINE KINASE INHIBITOR AND USES THEREOF LCK, ABL1, SRC CA1 3788/4885CA2 1772/4885MMP1 3109/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 CA1 3746/4885CA2 1306/4885MMP1 259/4885
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 CA1 3293/4885CA2 2598/4885MMP1 2012/4885
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES MAVS, EIF2AK2, SARS1 CA1 3074/4885CA2 3802/4885MMP1 4157/4885
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES CCNT2, CCNL2, CCND2 CA1 3293/4885CA2 2598/4885MMP1 2012/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 CA1 3460/4885CA2 1474/4885MMP1 139/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 CA1 3293/4885CA2 2598/4885MMP1 2012/4885

“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.