Sugi Predict

Sugi Predict / Compounds / SCHEMBL3354749

SCHEMBL3354749

SCHEMBL3354749

COC(=O)c1cc(I)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.50
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA7 P43166 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TPMT P51580 3/20 0.49
▸ XDH P47989 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ FUT7 Q11130 1/20 0.48

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
SCHEMBL30530249 1.00 KDM4E (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL15122932 0.98 KDM4E (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL475680 0.92 CA1 (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL9121827 0.89 CA12 (0.60) KDM4ECA12CA1CA2CA7
SCHEMBL7234945 0.89 CA12 (0.60) KDM4ECA12CA1CA2CA7
Methyl Alcohol SCHEMBL28269742 0.87 CA12 (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL231885 0.87 CA1 (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL16960586 0.84 CA1 (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL12993691 0.84 CA12 (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL1951073 0.82 TPMT (0.59) KDM4ECA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262305-B Thiazolinyl-N-aryl benzamide compound substituted by alkynyl, and preparation method and application thereof 上海鸿恒生物医药科技有限公司 2024-11-15 — — CN disclosed
US-12084400-B2 Trisamide compounds and compositions comprising the same MILLIKEN & COMPANY (US) 2024-09-10 — — US disclosed
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET [DK]/[DK] (DK) 2024-08-29 — — US disclosed
US-20240025842-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY 2024-01-25 — — US disclosed
EP-4259601-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME Milliken & Company (US) 2023-10-18 — — EP disclosed
US-11773054-B2 Trisamide compounds and compositions comprising the same MILLIKEN & COMPANY (US) 2023-10-03 — — US disclosed
CN-116583543-A Triamide compound and composition comprising same 美利肯公司 2023-08-11 — — CN disclosed
EP-4076659-A1 MACROCYCLIC AMIDES ACTING AS PLASMEPSIN INHBITORS FOR THE TREATMENT OF MALARIA Latvian Institute Of Organic Synthesis (LV) 2022-10-26 — — EP disclosed
WO-2022132455-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY (US) 2022-06-23 — — WO disclosed
US-20220185770-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY 2022-06-16 — — US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 — — WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 — — WO disclosed
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 — — CN disclosed
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 — — US disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 — — US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 — — EP disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 — — CN disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 — — WO disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 — — EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 — — 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 (5 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-20220185770-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME TRIM4, TRIM58, REV1 KDM4E 1177/4885CA12 3501/4885CA1 2990/4885
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 KDM4E 4344/4885CA12 749/4885CA1 1577/4885
US-20240025842-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME TRIM4, TRIM58, REV1 KDM4E 1177/4885CA12 3501/4885CA1 2990/4885
US-12084400-B2 Trisamide compounds and compositions comprising the same TRIM4, TRIM58, REV1 KDM4E 1177/4885CA12 3501/4885CA1 2990/4885
US-11773054-B2 Trisamide compounds and compositions comprising the same TRIM4, TRIM58, REV1 KDM4E 1177/4885CA12 3501/4885CA1 2990/4885

“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.