Sugi Predict

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SCHEMBL13596304

SCHEMBL13596304

CC(C)(C)CCOC(=O)NCc1cn(CCOCCOC(=O)C(C)(C)C)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.37
▸ GBA1 P04062 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ LHCGR P22888 1/20 0.33
▸ FSHR P23945 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL13596301 1.00 GLS (0.37) GLSGBA1NPC1DRD2CA12
SCHEMBL13596303 0.98 GLS (0.37) GLSGBA1NPC1DRD2CA12
SCHEMBL13596305 0.96 GLS (0.37) GLSGBA1NPC1CA12CA1
SCHEMBL19592563 0.92 GLS (0.37) GLSGBA1NPC1DRD2CA12
SCHEMBL19389613 0.91 GBA1 (0.41) GLSGBA1NPC1DRD2CA12
SCHEMBL19632219 0.89 GLS (0.37) GLSGBA1DRD2CA12CA1
SCHEMBL18792801 0.89 GLS (0.37) GLSGBA1DRD2CA12CA1
SCHEMBL19592514 0.89 GLS (0.37) GLSGBA1CA12CA1CA2
SCHEMBL12848666 0.89 GBA1 (0.40) GLSGBA1DRD2
SCHEMBL19592513 0.89 GLS (0.37) GLSGBA1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 — — US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 — — US disclosed
US-9901567-B2 Substituted CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2018-02-27 — — US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 — — US disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 — — US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 — — 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L GLS 991/4885GBA1 417/4885NPC1 4105/4885
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD GLS 737/4885GBA1 486/4885NPC1 3451/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L GLS 991/4885GBA1 417/4885NPC1 4105/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L GLS 937/4885GBA1 423/4885NPC1 4122/4885

“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.