SCHEMBL342180

SCHEMBL342180

O=C(O)C(S)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
KIF11 P52732 3/20 0.40
CYP2D6 P10635 2/20 0.39
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
SRC P12931 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
MME P08473 1/20 0.38
KCNN4 O15554 1/20 0.38

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
SCHEMBL856139 1.00 CYP1A2 (0.41) CYP1A2KIF11CYP2D6CPA3FOLH1
SCHEMBL335641 0.84 KIF11 (0.52) CYP1A2KIF11KMT2A
SCHEMBL27713868 0.79 LMNA (0.44) CYP1A2KIF11CYP2D6SRCMAPT
SCHEMBL9373145 0.78 MAPT (0.45) CYP1A2KIF11CYP2D6MAPTKMT2A
SCHEMBL1235122 0.78 KMT2A (0.48) CYP1A2KIF11CYP2D6SRCMAPT
SCHEMBL6505750 0.74 CYP1A2 (0.39) CYP1A2KIF11CYP2D6CPA3FOLH1
SCHEMBL4579475 0.73 CYP1A2 (0.48) CYP1A2KIF11CYP2D6SRCMAPT
SCHEMBL29351710 0.73 KIF11 (0.48) CYP1A2KIF11CYP2D6MAPTKMT2A
SCHEMBL34784 0.72 FOLH1 (0.48) CYP1A2KIF11CPA3FOLH1
SCHEMBL3785507 0.72 FOLH1 (0.48) CYP1A2KIF11CPA3FOLH1

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-118006336-A Construction and application of fluorescent lighting optical probe with high signal-to-noise ratio for detecting hypochlorite 中国科学院新疆理化技术研究所 2024-05-10 CN claimed
US-9044519-B2 Radiotracer precursor for imaging of hypoxic tissue, radiotracer, and method for preparing the same Atomic Energy Council—Institute of Nuclear Energy Research (TW) 2015-06-02 US claimed
US-9024035-B2 Radiotracer precursor BANI for imaging of hypoxic tissue, radiotracer, and method for preparing the same Atomic Energy Council—Institute of Nuclear Energy Research (TW) 2015-05-05 US claimed
US-20150025248-A1 RADIOTRACER PRECURSOR BANI FOR IMAGING OF HYPOXIC TISSUE, RADIOTRACER, AND METHOD FOR PREPARING THE SAME ATOMIC ENERGY COUNCIL - INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2015-01-22 US claimed
US-20140371434-A1 RADIOTRACER PRECURSOR FOR IMAGING OF HYPOXIC TISSUE, RADIOTRACER, AND METHOD FOR PREPARING THE SAME ATOMIC ENERGY COUNCIL-INSTTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2014-12-18 US claimed
CN-118006336-A Construction and application of fluorescent lighting optical probe with high signal-to-noise ratio for detecting hypochlorite 中国科学院新疆理化技术研究所 2024-05-10 CN disclosed
CN-110885316-B Sulfhydryl compound as histone deacetylase inhibitor and application thereof 上海中泽医药科技有限公司 2023-03-28 CN disclosed
CN-114341158-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2022-04-12 CN disclosed
CN-111943892-B Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof 上海中泽医药科技有限公司 2022-04-05 CN disclosed
CN-111943892-A Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof 上海中泽医药科技有限公司 2020-11-17 CN disclosed
CN-110885316-A Sulfhydryl compound as histone deacetylase inhibitor and application thereof 上海中泽医药科技有限公司 2020-03-17 CN disclosed
US-10259845-B2 Peptides whose uptake by cells is controllable THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-16 US disclosed
US-7964752-B2 Bifunctional compound containing amino group and diaminedithiol ligand and manufacturing method thereof Atomic Energy Council—Institute of Nuclear Energy Research (TW) 2011-06-21 US disclosed
US-20110040123-A1 Bifunctional compound containing amino group and diaminedithiol ligand and manufacturing method thereof ATOMIC ENERGY COUNCIL - INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2011-02-17 US disclosed
EP-1996609-A2 METHOD OF PREPARING GLYCOPEPTIDES The Scripps Research Institute (US) 2008-12-03 EP disclosed
EP-1896085-A1 PEPTIDES WHOSE UPTAKE BY CELLS IS CONTROLLABLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-12 EP disclosed
WO-2007111952-A2 METHOD OF PREPARING GLYCOPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2007-10-04 WO disclosed
US-20070041904-A1 Peptides whose uptake by cells is controllable THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-02-22 US disclosed
WO-2006125134-A1 PEPTIDES WHOSE UPTAKE BY CELLS IS CONTROLLABLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-23 WO disclosed
US-20060041105-A1 Peptides whose uptake by cells is controllable THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-23 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-20140371434-A1 RADIOTRACER PRECURSOR FOR IMAGING OF HYPOXIC TISSUE, RADIOTRACER, AND METHOD FOR PREPARING THE SAME HIF1A, HIF1AN, HYOU1 CYP1A2 1190/4885KIF11 3931/4885CYP2D6 840/4885
US-20070041904-A1 Peptides whose uptake by cells is controllable XPA, BMX, TPX2 CYP1A2 4776/4885KIF11 3152/4885CYP2D6 4593/4885
US-10259845-B2 Peptides whose uptake by cells is controllable XPA, BMX, TPX2 CYP1A2 4776/4885KIF11 3152/4885CYP2D6 4593/4885
US-20150025248-A1 RADIOTRACER PRECURSOR BANI FOR IMAGING OF HYPOXIC TISSUE, RADIOTRACER, AND METHOD FOR PREPARING THE SAME HIF1AN, HIF1A, PAICS CYP1A2 1251/4885KIF11 4464/4885CYP2D6 1493/4885
US-20110040123-A1 Bifunctional compound containing amino group and diaminedithiol ligand and manufacturing method thereof EPRS1, SLC7A5, ATIC CYP1A2 3422/4885KIF11 3097/4885CYP2D6 3349/4885
US-20060041105-A1 Peptides whose uptake by cells is controllable F13B, XPA, BMX CYP1A2 4642/4885KIF11 2874/4885CYP2D6 3885/4885

“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.