Sugi Predict

Sugi Predict / Compounds / SCHEMBL12467409

SCHEMBL12467409

SCHEMBL12467409

CCOC(=O)NCC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ SOAT1 P35610 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL12175172 0.81 EPHX1 (0.45) EGLN1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL2651973 0.79 ALDH1A1 (0.46) GAAMGAMSIMGAM2SOAT1
SCHEMBL1912605 0.79 EGLN1 (0.63) GAAMGAMSIMGAM2SOAT1
SCHEMBL2482646 0.79 GAA (0.59) GAAMGAMSIMGAM2EGLN1
SCHEMBL27871297 0.78 GAA (0.39) GAAMGAMSIMGAM2SOAT1
SCHEMBL18834082 0.78 EGLN1 (0.68) GAAMGAMSIMGAM2SOAT1
SCHEMBL602822 0.78 — —
SCHEMBL9129733 0.77 GAA (0.42) GAAMGAMSIMGAM2SOAT1
SCHEMBL15219640 0.77 GAA (0.42) GAAMGAMSIMGAM2SOAT1
SCHEMBL11184401 0.77 ALDH1A1 (0.56) GAAMGAMSIMGAM2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372840-A A kind of inorganic-organic hybrid modified crosslinking type aqueous polyurethane emulsion and preparation method thereof 陕西科技大学 2019-10-25 — — CN disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 GAA 773/4885MGAM 1994/4885SI 226/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 GAA 773/4885MGAM 1994/4885SI 226/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 GAA 751/4885MGAM 3178/4885SI 415/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 GAA 771/4885MGAM 2308/4885SI 259/4885

“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.