SCHEMBL5849869

SCHEMBL5849869

C[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CTSK P43235 4/20 0.49
CTSS P25774 2/20 0.49
CTSB P07858 1/20 0.49
AAK1 Q2M2I8 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3038444 1.00 ALDH1A1 (0.51) ALDH1A1CTSKCTSSCTSBAAK1
SCHEMBL12020767 1.00 ALDH1A1 (0.51) ALDH1A1CTSKCTSSCTSBAAK1
SCHEMBL30554382 1.00 ALDH1A1 (0.51) ALDH1A1CTSKCTSSCTSBAAK1
SCHEMBL9904174 1.00 ALDH1A1 (0.51) ALDH1A1CTSKCTSSCTSBAAK1
SCHEMBL30083281 0.94 ALDH1A1 (0.46) ALDH1A1CTSKCTSSCTSBAAK1
SCHEMBL6227427 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1POLB
SCHEMBL30695643 0.85 CTSS (0.47) ALDH1A1CTSKCTSSCTSBAAK1
SCHEMBL19479409 0.84 CTSK (0.47) ALDH1A1CTSKCTSSPOLB
SCHEMBL6487442 0.84 CTSK (0.47) CTSKCTSS
SCHEMBL781623 0.84 CTSK (0.47) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435087-B2 Modulators of DCN-1 and methods of use thereof CELLARITY, INC. (US) 2025-10-07 US disclosed
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 EP disclosed
US-20250163058-A1 MODULATORS OF DCN-1 AND METHODS OF USE THEREOF THAMES PHARMA PARTNERS 2025-05-22 US disclosed
WO-2025096981-A1 MODULATORS OF DCN-1 AND METHODS OF USE THEREOF CELLARITY, INC. (US) 2025-05-08 WO disclosed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 WO disclosed
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 WO disclosed
CN-103608347-B Imidazopyridine ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed
CN-103608347-A Imidazopyridine compound ASTELLAS PHARMA INC 2014-02-26 CN disclosed
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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 (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-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers KCNQ5, KCNQ2, KCNQ3 ALDH1A1 1346/4885CTSK 2837/4885CTSS 3398/4885
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B ALDH1A1 4679/4885CTSK 1358/4885CTSS 1250/4885
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers KCNQ3, KCNQ1, KCNQ2 ALDH1A1 808/4885CTSK 2232/4885CTSS 3169/4885
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 ALDH1A1 2914/4885CTSK 2343/4885CTSS 3799/4885
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 ALDH1A1 954/4885CTSK 962/4885CTSS 1167/4885
US-20250163058-A1 MODULATORS OF DCN-1 AND METHODS OF USE THEREOF DCUN1D1, DCUN1D2, DCUN1D4 ALDH1A1 847/4885CTSK 4249/4885CTSS 4223/4885
US-12435087-B2 Modulators of DCN-1 and methods of use thereof DCUN1D1, DCUN1D2, DCUN1D4 ALDH1A1 847/4885CTSK 4249/4885CTSS 4223/4885
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 ALDH1A1 1430/4885CTSK 3573/4885CTSS 3178/4885

“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.