SCHEMBL5213233

SCHEMBL5213233

CC(C)(C)OC(=O)NCCS(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CA1 P00915 11/20 0.46
CA2 P00918 11/20 0.46
CA12 O43570 9/20 0.46
CA9 Q16790 7/20 0.46
EPHX1 P07099 1/20 0.44
MALT1 Q9UDY8 1/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL12122306 0.90 CA1 (0.46) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12972387 0.90 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28301448 0.89 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12972389 0.88 TDP1 (0.42) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21229156 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7352046 0.85 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1897482 0.84 CA1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18970801 0.83 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5209649 0.83 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
Hydrochloric Acid SCHEMBL29948784 0.83 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 US disclosed
CN-115536576-A Sulfonylbenzamide derivatives, conjugates thereof, preparation methods and applications of derivatives and conjugates 江苏恒瑞医药股份有限公司 2022-12-30 CN disclosed
US-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2021-04-20 US disclosed
US-9468635-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2016-10-18 US disclosed
US-9468635-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2016-10-18 US disclosed
CN-103415507-B As the 3-amino-pyridine class of GPBAR1 agonist HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NOVO NORDISK A/S (DK) 2015-05-07 US disclosed
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NOVO NORDISK A/S (DK) 2015-05-07 US disclosed
US-8946279-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2015-02-03 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TDP1 4271/4885MEN1 1626/4885GAA 4803/4885
US-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR TDP1 4502/4885MEN1 369/4885GAA 1806/4885
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A TDP1 4714/4885MEN1 3001/4885GAA 2534/4885
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NR3C2, REN, MC2R TDP1 4723/4885MEN1 344/4885GAA 4861/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TDP1 70/4885MEN1 2927/4885GAA 477/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TDP1 70/4885MEN1 2927/4885GAA 477/4885

“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.