Sugi Predict

Sugi Predict / Compounds / SCHEMBL1934718

SCHEMBL1934718

SCHEMBL1934718

CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ APLNR P35414 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NPFFR1 Q9GZQ6 1/20 0.36
▸ NPFFR2 Q9Y5X5 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL13019150 0.83 MEN1 (0.49) PTPN11MEN1KMT2AGAATDP1
SCHEMBL25063331 0.82 APLNR (0.44) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL10071535 0.82 APLNR (0.44) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL2237135 0.81 MEN1 (0.44) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL14721455 0.81 APLNR (0.42) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL14879230 0.80 TDP1 (0.44) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL25198094 0.79 APLNR (0.46) PTPN11MEN1KMT2AGAAAPLNR
SCHEMBL16082152 0.78 APLNR (0.44) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL27970694 0.77 APLNR (0.43) MEN1KMT2AGAAAPLNRTDP1
SCHEMBL1486144 0.77 MEN1 (0.46) MEN1KMT2AGAAAPLNRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 — — EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — WO disclosed
US-6951946-B2 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates LEXICON PHARMACEUTICALS, INC. (US) 2005-10-04 — — US disclosed
US-20050154211-A1 Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates KOLB HARTMUTH C (US) 2005-07-14 — — US disclosed
US-20040019215-A1 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates LEXICON PHARMACEUTICALS, INC. 2004-01-29 — — 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 (3 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-20050154211-A1 Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates OXA1L, ODC1, CYP4B1 PTPN11 4440/4885MEN1 1152/4885KMT2A 3220/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PTPN11 3376/4885MEN1 231/4885KMT2A 1859/4885
US-20040019215-A1 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates OXA1L, ODC1, CYP4B1 PTPN11 4440/4885MEN1 1152/4885KMT2A 3220/4885

“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.