Sugi Predict

Sugi Predict / Compounds / SCHEMBL393499

SCHEMBL393499

SCHEMBL393499

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NN(C(=O)OCc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.40
▸ DGAT1 O75907 2/20 0.39
▸ PDGFRB P09619 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ HIF1A Q16665 2/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL397013 0.82 NPC1 (0.45) ALPLDGAT1PDGFRBKDRHIF1A
SCHEMBL789432 0.73 ALPL (0.52) ALPLDGAT1PDGFRBKDR
SCHEMBL16929664 0.72 ALPL (0.44) ALPLDGAT1PDGFRBKDRHIF1A
SCHEMBL2477459 0.72 DGAT1 (0.40) ALPLDGAT1PDGFRBKDRNR1H2
SCHEMBL3513830 0.71 ALPL (0.41) ALPLDGAT1PDGFRBKDRHIF1A
SCHEMBL17450629 0.70 DGAT1 (0.47) ALPLDGAT1PDGFRBKDRLIPG
SCHEMBL3513930 0.70 ALPL (0.44) ALPLDGAT1PDGFRBKDRHIF1A
SCHEMBL31480281 0.69 LIPG (0.39) DGAT1HIF1ALIPGKEAP1NFE2L2
SCHEMBL790824 0.69 ALPL (0.56) ALPLPDGFRBKDR
SCHEMBL29556839 0.69 ALPL (0.56) ALPLPDGFRBKDR

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
EP-1831168-B1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. VERTEX PHARMA (US) 2014-07-02 — — EP disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — US disclosed
US-20060183911-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-08-17 — — 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-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ALPL 3579/4885DGAT1 4419/4885PDGFRB 844/4885
US-20060183911-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 ALPL 3579/4885DGAT1 4419/4885PDGFRB 844/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ALPL 3579/4885DGAT1 4419/4885PDGFRB 844/4885

“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.