SCHEMBL5387772

SCHEMBL5387772

COC(=O)c1cc(SC(=O)N(C)C)cc(SC(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
XDH P47989 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.38

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
SCHEMBL5220625 0.96 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL24017413 0.94 CA12 (0.41) CA1CA2CA12CA7CA9
SCHEMBL5217371 0.90 KDM4E (0.41) CA1CA2CA12CA7CA9
SCHEMBL3554199 0.89 CA1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL5574255 0.83 CA1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL26702131 0.83 ALDH1A1 (0.37) CA1CA2CA12CA7CA9
SCHEMBL24372708 0.82 ALDH1A1 (0.49) GAAALDH1A1TSHRRAB9A
SCHEMBL11312872 0.82 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL5574878 0.82 CYP1A2 (0.45) KDM4ELMNAL3MBTL1GAAALDH1A1
SCHEMBL5574874 0.80 CYP1A2 (0.43) KDM4ELMNAL3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 CN disclosed
US-20220153783-A1 MITOCHONDRIA-TARGETING COMPOUND AND COMPOSITION COMPRISING SAME FOR TREATING OR PREVENTING AGING-RELATED DISEASES FUSION BIOTECHNOLOGY CO., LTD. (KR) 2022-05-19 US disclosed
EP-3925961-A1 MITOCHONDRIA-TARGETING COMPOUND AND COMPOSITION COMPRISING SAME FOR TREATING OR PREVENTING AGING-RELATED DISEASES Fusion Biotechnology Co., Ltd. (KR) 2021-12-22 EP disclosed
WO-2021224323-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-11-11 WO disclosed
WO-2021085906-A1 MITOCHONDRIA-TARGETING COMPOUND AND COMPOSITION COMPRISING SAME FOR TREATING OR PREVENTING AGING-RELATED DISEASES 주식회사 퓨전바이오텍 2021-05-06 WO disclosed
US-20070172600-A1 Molecular bonding method and molecular bonding device NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATION TECHNOLOGY INCORPORATED (JP) 2007-07-26 US disclosed
US-20070172600-A1 Molecular bonding method and molecular bonding device NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATION TECHNOLOGY INCORPORATED (JP) 2007-07-26 US disclosed
US-20070172600-A1 Molecular bonding method and molecular bonding device NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATION TECHNOLOGY INCORPORATED (JP) 2007-07-26 US disclosed
US-20070114400-A1 Probe NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED (JP) 2007-05-24 US disclosed
US-20070114400-A1 Probe NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED (JP) 2007-05-24 US disclosed
US-7205428-B2 Thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2007-04-17 US disclosed
EP-1623953-A1 PROBE National Institute of Information and Communications Technology (JP) 2006-02-08 EP disclosed
EP-1621517-A1 METHOD OF BONDING MOLECULE AND MOLECULE BONDING APPARATUS National Institute of Information and Communications Technology (JP) 2006-02-01 EP disclosed
EP-1219667-B1 Novel thioether derivatives, their method for production and use COMM RES LAB INDEPENDENT ADMIN (JP) 2004-08-04 EP disclosed
US-6630578-B2 Which respond immediately by emission of light when stimulated with light or electric energy, and are useful as switching material of memory COMMUNICATIONS RESEARCH LABORATORY, INDEPENDENT ADMINISTRATIVE INSTITUTION (JP) 2003-10-07 US disclosed
US-20030171507-A1 Novel thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2003-09-11 US disclosed
EP-1219667-A2 Novel thioether derivatives, their method for production and use Communications Research Laboratory, Independent Administrative Institution (JP) 2002-07-03 EP disclosed
US-20020072583-A1 Novel thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2002-06-13 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 (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-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES CYP4F3, CYP4X1, GLRX3 CA1 4440/4885CA2 3769/4885CA12 4860/4885
US-20220153783-A1 MITOCHONDRIA-TARGETING COMPOUND AND COMPOSITION COMPRISING SAME FOR TREATING OR PREVENTING AGING-RELATED DISEASES TFAM, HSPA9, AIFM1 CA1 4542/4885CA2 2758/4885CA12 4746/4885

“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.