Sugi Predict

Sugi Predict / Compounds / SCHEMBL4062591

SCHEMBL4062591

SCHEMBL4062591

F[B-](F)(F)F.N#[N+]c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.39
▸ CES1 P23141 4/20 0.39
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ NFE2L2 Q16236 2/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ KDM1B Q8NB78 1/20 0.31

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
SCHEMBL5182959 0.93 CA3 (0.42) CES2CES1CA3CA6CA5A
SCHEMBL9489355 0.83 CES2 (0.39) CES2CES1CA3CA6CA5A
SCHEMBL4067475 0.81 CYP3A4 (0.32) —
SCHEMBL4060558 0.79 HPGD (0.30) —
SCHEMBL27631424 0.79 CYP3A4 (0.31) —
SCHEMBL10594860 0.79 NFE2L2 (0.33) ALDH1A1NFE2L2
SCHEMBL28757192 0.78 — —
SCHEMBL11486407 0.75 HPGD (0.33) —
SCHEMBL29094042 0.75 ACHE (0.31) —
SCHEMBL8849876 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099600-A1 Active Metabolites of Kinesin Spindle Protein Inhibitor Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-03-27 — — US disclosed
US-12144865-B2 Antibody drug conjugates with enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-11-19 — — US disclosed
EP-4406606-A2 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE G Bayer Pharma Aktiengesellschaft (DE) 2024-07-31 — — EP disclosed
US-20230039341-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-02-09 — — US disclosed
CN-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 — — CN disclosed
US-11123439-B2 Antibody drug conjugates (ADCS) and antibody prodrug conjugates (APDCS) with enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-21 — — US disclosed
CN-106163568-B Antibody Drug Conjugates (ADC) containing spindle Kinesin (KSP) 拜耳制药股份公司 2021-03-23 — — CN disclosed
EP-3086814-B1 DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) Bayer Pharma AG (DE) 2020-06-24 — — EP disclosed
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-20180169256-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-21 — — US disclosed
EP-1515949-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-11-09 — — EP disclosed
EP-1515724-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-08-17 — — EP disclosed
EP-1551962-A2 MITOTIC KINESIN BINDING SITE Merck & Co., Inc. (US) 2005-07-13 — — EP disclosed
EP-1515724-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 — — EP disclosed
EP-1515949-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 — — EP disclosed
WO-2004111193-A2 PRODRUGS OF MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-12-23 — — WO disclosed
WO-2004087050-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-10-14 — — WO disclosed
WO-2004004652-A2 MITOTIC KINESIN BINDING SITE MERCK & CO., INC. (US) 2004-01-15 — — WO disclosed
WO-2003106417-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 — — WO disclosed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 — — 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-11123439-B2 Antibody drug conjugates (ADCS) and antibody prodrug conjugates (APDCS) with enzymatically cleavable groups KIFC1, KIF2C, KIF5B CES2 2112/4885CES1 1958/4885CA3 2043/4885
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) KIF5B, KIF23, KIF2C CES2 3672/4885CES1 3327/4885CA3 3974/4885
US-20180169256-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS KIFC1, KIF2C, KIF5B CES2 2112/4885CES1 1958/4885CA3 2043/4885
US-20250099600-A1 Active Metabolites of Kinesin Spindle Protein Inhibitor Conjugates KIF18B, KIF18A, KIF5B CES2 3508/4885CES1 3447/4885CA3 3648/4885
US-12144865-B2 Antibody drug conjugates with enzymatically cleavable groups KIFC1, KIF2C, KIF5B CES2 1750/4885CES1 1477/4885CA3 2559/4885
US-20230039341-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS KIFC1, KIF2C, KIF5B CES2 2112/4885CES1 1958/4885CA3 2043/4885

“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.