SCHEMBL3333769

SCHEMBL3333769

C#Cc1nc(C(=O)OC)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC4 P56524 2/20 0.40
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRBN Q96SW2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1548729 0.83 RAB9A (0.59) MAOAMEN1MAPTKMT2AALDH1A1
SCHEMBL20595853 0.79 L3MBTL1 (0.49) ACHEHDAC3HDAC1HDAC2HDAC8
Methyl Benzoate SCHEMBL30924569 0.79 TSHR (0.49) MAOAACHEMEN1MAPTKMT2A
SCHEMBL3333662 0.78 HDAC3 (0.47) ACHEHDAC3HDAC1HDAC2HDAC8
SCHEMBL14656020 0.77 ACHE (0.64) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL24499052 0.76 CYP2C9 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL496467 0.76 MAOA (0.50) MAOAACHEMEN1MAPTKMT2A
SCHEMBL162485 0.76 MAOA (0.50) MAOAACHEMEN1MAPTKMT2A
SCHEMBL595766 0.76 MAOA (0.50) MAOAACHEHDAC3HDAC1HDAC2
SCHEMBL13151287 0.75 CYP1A2 (0.48) MAOAACHEMEN1MAPTKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465997-B2 Synthesis of disorazoles and analogs thereof as potent anticancer agents WILLIAM MARSH RICE UNIVERSITY (US) 2022-10-11 US disclosed
US-20210155616-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2021-05-27 US disclosed
US-20210155616-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2021-05-27 US disclosed
EP-3641891-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS William Marsh Rice University (US) 2020-04-29 EP disclosed
WO-2018237178-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-27 WO disclosed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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 (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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT MAOA 3675/4885ACHE 3382/4885HDAC3 722/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM MAOA 2241/4885ACHE 2739/4885HDAC3 570/4885
US-11465997-B2 Synthesis of disorazoles and analogs thereof as potent anticancer agents CD47, DUT, CD99 MAOA 2004/4885ACHE 4185/4885HDAC3 795/4885
US-20210155616-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS CD47, DUT, CD99 MAOA 2004/4885ACHE 4185/4885HDAC3 795/4885

“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.