SCHEMBL19066920

SCHEMBL19066920

CCOC(=O)c1sc(NC(=O)c2ccco2)c(SC#N)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 3/20 1.00
▸ ALDH1A1 P00352 9/20 0.73
▸ HPGD P15428 6/20 0.73
▸ MAPK1 P28482 4/20 0.60
▸ KDM4E B2RXH2 7/20 0.55
▸ TSHR P16473 2/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPSR1 Q6W5P4 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL19066919 0.87 PHGDH (0.77) PHGDHALDH1A1HPGDMAPK1KDM4E
SCHEMBL19066922 0.86 PHGDH (0.76) PHGDHALDH1A1HPGDMAPK1KDM4E
SCHEMBL8288738 0.76 HPGD (0.74) PHGDHALDH1A1HPGDMAPK1KDM4E
SCHEMBL10143934 0.71 ALDH1A1 (0.98) PHGDHALDH1A1HPGDMAPK1KDM4E
SCHEMBL5449432 0.67 ALDH1A1 (1.00) ALDH1A1HPGDMAPK1KDM4ETSHR
SCHEMBL11099034 0.67 ALDH1A1 (0.56) PHGDHALDH1A1HPGDKDM4ETSHR
SCHEMBL15503673 0.67 KMT2A (1.00) ALDH1A1HPGDMAPK1KDM4ETSHR
SCHEMBL859237 0.67 NPC1 (0.61) ALDH1A1HPGDKDM4ETSHRRAB9A
SCHEMBL4140119 0.66 ALDH1A1 (0.62) PHGDHALDH1A1HPGDMAPK1KDM4E
SCHEMBL5456095 0.65 ALDH1A1 (0.77) ALDH1A1HPGDMAPK1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119355267-A Application of NOX4 and tumor-associated neutrophils in prediction of gastric cancer immune curative effect 上海交通大学医学院附属瑞金医院 2025-01-24 — — CN claimed
CN-119326889-A PHGDH inhibitor and application thereof in treatment of disseminated tumor cells 复旦大学附属中山医院 2025-01-21 — — CN claimed
CN-118436641-A Application of compound CBR-5884 in preparation of ovarian cancer stem cell proliferation inhibitor 广州医科大学附属妇女儿童医疗中心 2024-08-06 — — CN claimed
CN-116350789-A Antitumor application of composition based on PHGDH activity inhibition 中国医学科学院药物研究所 2023-06-30 — — CN claimed
US-12628858-B2 Therapy for colorectal and small intestine cancers CORNELL UNIVERSITY (US) 2026-05-19 — — US disclosed
US-12565654-B2 Extracellular vesicle secretion reducing agent for reducing extracellular vesicle secretion, and use of the same THEORIA SCIENCE INC. (JP) 2026-03-03 — — US disclosed
CN-119345334-B Application of macrophage PHGDH in preparation of TAK1 inhibitor 四川省医学科学院·四川省人民医院 2025-03-18 — — CN disclosed
CN-119564668-A Application of compound in preparation of PHGDH active site inhibitor 首都医科大学附属北京中医医院 2025-03-07 — — CN disclosed
CN-115466229-B Para-amidobenzenesulfonyl compound and application thereof 上海中医药大学 2025-01-24 — — CN disclosed
CN-119355267-A Application of NOX4 and tumor-associated neutrophils in prediction of gastric cancer immune curative effect 上海交通大学医学院附属瑞金医院 2025-01-24 — — CN disclosed
CN-119345334-A Application of macrophage PHGDH in preparation of TAK1 inhibitor 四川省医学科学院·四川省人民医院 2025-01-24 — — CN disclosed
CN-119326889-A PHGDH inhibitor and application thereof in treatment of disseminated tumor cells 复旦大学附属中山医院 2025-01-21 — — CN disclosed
CN-115466229-A P-acylamino benzenesulfonyl compound and application thereof 上海中医药大学 2022-12-13 — — CN disclosed
CN-110392681-B Tosylacetate-based compounds and derivatives thereof as PHGDH inhibitors 勃林格殷格翰国际有限公司 2022-11-25 — — CN disclosed
CN-115181728-A Application of substance for inhibiting serine metabolism in regulating macrophage polarization by regulating IGF1-p38 axis 天津医科大学 2022-10-14 — — CN disclosed
CN-115181728-A Application of substance for inhibiting serine metabolism in regulating macrophage polarization by regulating IGF1-p38 axis 天津医科大学 2022-10-14 — — CN disclosed
WO-2022120195-A1 METHOD OF TREATING AND PREVENTING VIRAL INFECTION THE GENERAL HOSPITAL CORPORATION (US) 2022-06-09 — — WO disclosed
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 — — US disclosed
US-20190010144-A1 SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF CORNELL UNIVERSITY 2019-01-10 — — US disclosed
WO-2017117532-A1 SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF CANTLEY LEWIS C (US) 2017-07-06 — — 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 (4 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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 PHGDH 1/4885ALDH1A1 168/4885HPGD 63/4885
US-20190010144-A1 SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF PHGDH, G6PD, PGD PHGDH 1/4885ALDH1A1 211/4885HPGD 17/4885
US-12628858-B2 Therapy for colorectal and small intestine cancers FABP2, PKN2, APC PHGDH 203/4885ALDH1A1 4014/4885HPGD 4514/4885
US-12565654-B2 Extracellular vesicle secretion reducing agent for reducing extracellular vesicle secretion, and use of the same EXOSC5, EXOSC4, EXOSC9 PHGDH 1426/4885ALDH1A1 2814/4885HPGD 3713/4885

“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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