SCHEMBL78177

SCHEMBL78177

[O]c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL7702552 0.75 CA1 (0.43) CES2CES1CA1CA2CA4
SCHEMBL41646 0.75 CA1 (0.43) CES2CES1CA1CA2CA4
Formaldehyde SCHEMBL27280878 0.73 CA1 (0.43) CES2CES1CA1CA2CA4
SCHEMBL2844279 0.73 CES2 (0.48) CES2CES1CA1CA2CA4
SCHEMBL23589702 0.72 CA1 (0.41) CES2CES1CA1CA2CA4
SCHEMBL29061953 0.72 CA1 (0.41) CES2CES1CA1CA2CA4
Bromide SCHEMBL6247121 0.72 CA1 (0.41) CES2CES1CA1CA2CA4
SCHEMBL31540317 0.72 CA1 (0.41) CES2CES1CA1CA2CA4
SCHEMBL29061954 0.72 CA1 (0.41) CES2CES1CA1CA2CA4
SCHEMBL29576072 0.72 CA1 (0.41) CES2CES1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN claimed
CN-117980327-A Specific coupling of antibodies 杭州多禧生物科技有限公司 2024-05-03 CN claimed
US-20240115719-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME AJINOMOTO CO., INC. (JP) 2024-04-11 US claimed
EP-3870044-B1 COMPLEXES AND LIGANDS MASSACHUSETTS GEN HOSPITAL (US) 2024-04-10 EP claimed
EP-4306535-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED USING SAME AJINOMOTO CO., INC. (JP) 2024-01-17 EP claimed
US-20240000965-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME AJINOMOTO CO., INC. (JP) 2024-01-04 US claimed
EP-4279500-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY PRODUCED USING SAME AJINOMOTO CO., INC. (JP) 2023-11-22 EP claimed
EP-4271997-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2023-11-08 EP claimed
CN-116964076-A Compounds or salts thereof, and antibodies derived therefrom 味之素株式会社 2023-10-27 CN claimed
US-20230312471-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES Universität Konstanz (DE) 2023-10-05 US claimed
US-5653958-A Imidazole based nitrogen-sulfur ligands useful in radiographic imaging agents MALLINCKRODT MEDICAL, INC. (US) 1997-08-05 US claimed
EP-0689463-A4 IMIDAZOLE BASED NITROGEN-SULFUR LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL INC (US) 1996-08-21 EP claimed
EP-0692977-A4 NOVEL HETEROCYCLE BASED NITROGEN-SULFUR LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL INC (US) 1996-04-10 EP claimed
EP-0692977-A1 NOVEL HETEROCYCLE BASED NITROGEN-SULFUR LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1996-01-24 EP claimed
EP-0689463-A1 IMIDAZOLE BASED NITROGEN-SULFUR LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1996-01-03 EP claimed
EP-0642357-A4 RADIOLABELLED PEPTIDE COMPOUNDS. 1995-04-05 EP claimed
EP-0642357-A1 RADIOLABELLED PEPTIDE COMPOUNDS MALLINCKRODT MEDICAL, INC. (US) 1995-03-15 EP claimed
WO-1994021304-A1 NOVEL HETEROCYCLE BASED NITROGEN-SULFUR LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1994-09-29 WO claimed
WO-1994020148-A1 IMIDAZOLE BASED NITROGEN-SULFUR LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1994-09-15 WO claimed
WO-1993015770-A1 RADIOLABELLED PEPTIDE COMPOUNDS MALLINCKRODT MEDICAL, INC. (US) 1993-08-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230312471-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES SARS1, ACE, ACE2 CES2 823/4885CES1 293/4885CA1 2797/4885
US-20240000965-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME IGLV6-57, CD47, SSB CES2 2762/4885CES1 4076/4885CA1 117/4885
US-20240115719-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME IGLV6-57, SSB, FCGR3B CES2 3995/4885CES1 4570/4885CA1 189/4885

“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.