SCHEMBL1436068

SCHEMBL1436068

CC(C)(C)OC(=O)NCCNC(N)=S

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CA1 P00915 9/20 0.51
CA2 P00918 9/20 0.51
CA12 O43570 7/20 0.51
CA9 Q16790 7/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
MALT1 Q9UDY8 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
SCHEMBL5389760 0.93 MAOA (0.64) MAOAMAOBTDP1CA1CA2
SCHEMBL5564023 0.93 MAOA (0.59) MAOAMAOBTDP1CA1CA2
SCHEMBL5124510 0.91 TDP1 (0.67) MAOAMAOBTDP1CA1CA2
SCHEMBL3341020 0.85 TDP1 (0.67) MAOAMAOBTDP1CA1CA2
SCHEMBL15049400 0.84 MAOA (0.57) MAOAMAOBTDP1CA1CA2
SCHEMBL23394950 0.84 TDP1 (0.56) MAOAMAOBTDP1CA1CA2
SCHEMBL1788759 0.83 MAOA (0.53) MAOAMAOBTDP1CA1CA2
SCHEMBL11175075 0.81 TDP1 (0.50) MAOAMAOBTDP1CA1CA2
SCHEMBL11168529 0.81 TDP1 (0.53) MAOAMAOBTDP1CA1CA2
SCHEMBL5093291 0.81 MAOA (0.54) MAOAMAOBTDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118451087-A Disulfide oligosaccharide compounds and complexes 生物技术公司 2024-08-06 CN disclosed
CN-118369122-A Oligosaccharide complex and use thereof 生物技术公司 2024-07-19 CN disclosed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 US disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 WO disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 MAOA 3021/4885MAOB 2876/4885TDP1 3074/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 MAOA 2399/4885MAOB 2125/4885TDP1 1233/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MAOA 3098/4885MAOB 3102/4885TDP1 565/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MAOA 2399/4885MAOB 2125/4885TDP1 1233/4885

“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.