Sugi Predict

Sugi Predict / Compounds / SCHEMBL10071724

SCHEMBL10071724

SCHEMBL10071724

CC(C)(C)OC(=O)NCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ MAN2B1 O00754 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37

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
SCHEMBL22402873 0.93 TDP1 (0.47) CA1CA2SMN1; SMN2HPGDHTT
SCHEMBL3474501 0.93 TDP1 (0.47) CA1CA2SMN1; SMN2HPGDHTT
SCHEMBL10071072 0.90 KDM4E (0.41) CA1CA2SMN1; SMN2HPGDHTT
SCHEMBL3402806 0.90 TDP1 (0.47) CA1CA2SMN1; SMN2TDP1MEN1
SCHEMBL17468120 0.89 TDP1 (0.49) CA1CA2SMN1; SMN2TDP1CYP3A4
SCHEMBL25132733 0.88 BCHE (0.42) CA1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL22431353 0.88 TDP1 (0.51) CA1CA2TDP1CYP3A4MEN1
SCHEMBL17381378 0.88 TDP1 (0.51) CA1CA2TDP1CYP3A4MEN1
SCHEMBL7612049 0.88 TDP1 (0.51) CA1CA2TDP1CYP3A4MEN1
SCHEMBL337313 0.88 TDP1 (0.51) CA1CA2TDP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules AFFYMAX, INC. (US) 2012-06-28 — — US disclosed
US-8106154-B2 Nitrogen-based linkers for attaching modifying groups to polypeptides and other macromolecules AFFYMAX, INC. (US) 2012-01-31 — — US disclosed
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES AFFYMAX, INC. (US) 2009-02-19 — — 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 (2 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-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules DNPEP, NGLY1, LNPEP CA1 1155/4885CA2 4362/4885SMN1; SMN2 2070/4885
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES NGLY1, YWHAZ, HBZ CA1 1871/4885CA2 4080/4885SMN1; SMN2 1501/4885

“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.