Sugi Predict

Sugi Predict / Compounds / SCHEMBL8292178

SCHEMBL8292178

SCHEMBL8292178

COC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ ELANE P08246 2/20 0.41
▸ AAK1 Q2M2I8 2/20 0.41
▸ F13A1 P00488 8/20 0.36
▸ TGM2 P21980 8/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ VHL P40337 2/20 0.35
▸ ELOC Q15369 2/20 0.35
▸ ELOB Q15370 2/20 0.35
▸ TGM6 O95932 1/20 0.34
▸ F13B P05160 1/20 0.34
▸ TGM1 P22735 1/20 0.34
▸ TGM3 Q08188 1/20 0.34
▸ NR1I2 O75469 1/20 0.34

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
SCHEMBL13259710 0.90 ALDH1A1 (0.54) ALDH1A1ELANEAAK1HDAC4HDAC1
SCHEMBL12213926 0.87 ALDH1A1 (0.41) ALDH1A1ELANEF13A1TGM2VHL
SCHEMBL20120873 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL8253158 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL13318866 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL10292790 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL806128 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL20120875 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL8015855 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB
SCHEMBL3371956 0.86 ELANE (0.44) ALDH1A1ELANEVHLELOCELOB

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-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
EP-2361925-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-31 — — EP disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 — — WO 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 (1 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-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 ALDH1A1 1658/4885ELANE 42/4885AAK1 3464/4885

“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.