Sugi Predict

Sugi Predict / Compounds / SCHEMBL10077634

SCHEMBL10077634

SCHEMBL10077634

CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.47
▸ ACE P12821 6/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ CASP1 P29466 2/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ PREP P48147 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3051377 1.00 CTSL (0.47) CTSLACEMEN1KMT2AUSP2
SCHEMBL13245760 0.92 CTSL (0.46) CTSLACEMEN1KMT2AUSP2
SCHEMBL3051904 0.92 CTSL (0.46) CTSLACEMEN1KMT2AUSP2
SCHEMBL9732240 0.90 ACE (0.51) CTSLACEMEN1KMT2AUSP2
SCHEMBL17652065 0.89 ACE (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL17652043 0.89 ACE (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL17652063 0.89 ACE (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL17652041 0.89 ACE (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL6224403 0.85 CTSL (0.44) CTSLACEMEN1KMT2AUSP2
SCHEMBL9256682 0.84 CTSL (0.54) CTSLACEMEN1KMT2AUSP2

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-2468744-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-27 — — EP disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 — — US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 — — US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — 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-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 CTSL 17/4885ACE 45/4885MEN1 4271/4885
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 CTSL 16/4885ACE 46/4885MEN1 4236/4885

“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.