SCHEMBL1207329

SCHEMBL1207329

O=C(O)CCc1cccc(I)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.61
▸ PTPRB P23467 1/20 0.57
▸ CDC25A P30304 1/20 0.57
▸ CDC25B P30305 1/20 0.57
▸ PTEN P60484 1/20 0.57
▸ PTPMT1 Q8WUK0 1/20 0.57
▸ FFAR1 O14842 11/20 0.57
▸ HDAC3 O15379 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL25168667 0.89 SMN1; SMN2 (0.63) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL30805270 0.87 MAPT (0.62) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL8661713 0.86 MAPT (0.66) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL10332840 0.86 MAPT (0.66) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL70271 0.86 KEAP1 (0.74) KEAP1PTPRBCDC25ACDC25BPTEN
Hydrochloric Acid SCHEMBL10982620 0.84 KEAP1 (0.71) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL28184245 0.83 CYP2D6 (0.51) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL22046251 0.83 TRPV1 (0.45) KEAP1PTPRBCDC25ACDC25BPTEN
Phenyl Propionic Acid SCHEMBL8043510 0.83 TDP1 (0.53) KEAP1FFAR1FFAR4
SCHEMBL8614478 0.81 KEAP1 (0.67) KEAP1PTPRBCDC25ACDC25BPTEN

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-4252719-A REMOVAL OF A TERTIARY HYDROGEN FROM A 5-A-STEROID BY CHLORINATING THE STEROID BEING FIRST ESTERIFIED BY AN IODOARYL-CONTAINING ESTERIFICATION AGENT RESEARCH CORPORATION (US) 1981-02-24 — — US claimed
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 — — EP disclosed
WO-2025088200-A2 ACID PHOSPHATASE 3 LIGANDS FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2025-05-01 — — WO disclosed
WO-2024259310-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-12-19 — — WO disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 — — WO disclosed
CN-116194155-A Urea-based ligands targeting PSMA for prostate cancer radiotherapy and imaging 哥本哈根大学 2023-05-30 — — CN disclosed
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2022-02-22 — — US disclosed
US-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS NOVO NORDISK A/S (DK) 2020-12-31 — — US disclosed
US-10512700-B2 Radiohalide-labeled targeted diagnostics and therapeutics MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-12-24 — — US disclosed
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2019-10-29 — — US disclosed
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; ABBOTT LABORATORIES 2004-08-26 — — US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 — — US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 — — EP disclosed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 — — US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 — — US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 — — US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 — — EP disclosed
US-4925649-A Radioiodinated diacylglycerol analogues and methods of use THE UNIVERSITY OF MICHIGAN (US) 1990-05-15 — — US disclosed
US-4925649-A Radioiodinated diacylglycerol analogues and methods of use THE UNIVERSITY OF MICHIGAN (US) 1990-05-15 — — US disclosed
US-4252719-A REMOVAL OF A TERTIARY HYDROGEN FROM A 5-A-STEROID BY CHLORINATING THE STEROID BEING FIRST ESTERIFIED BY AN IODOARYL-CONTAINING ESTERIFICATION AGENT RESEARCH CORPORATION (US) 1981-02-24 — — 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 (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-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS PGF, LIPA, PDGFA KEAP1 673/4885PTPRB 1542/4885CDC25A 2613/4885
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA KEAP1 673/4885PTPRB 1542/4885CDC25A 2613/4885
US-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 KEAP1 3207/4885PTPRB 1543/4885CDC25A 2165/4885
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA KEAP1 673/4885PTPRB 1542/4885CDC25A 2613/4885
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; G6PC1, PPP1R1B, PPP1R7 KEAP1 1974/4885PTPRB 36/4885CDC25A 217/4885
US-10512700-B2 Radiohalide-labeled targeted diagnostics and therapeutics PARP11, PARP1, PARP12 KEAP1 882/4885PTPRB 4728/4885CDC25A 4416/4885

“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.

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