Sugi Predict

Sugi Predict / Compounds / SCHEMBL8245015

SCHEMBL8245015

SCHEMBL8245015

COC(=O)NC(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TAS1R3 Q7RTX0 3/20 0.41
▸ TAS1R1 Q7RTX1 3/20 0.41
▸ TAS1R2 Q8TE23 3/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.34
▸ SIGMAR1 Q99720 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
SCHEMBL4743103 1.00 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4743068 1.00 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2625154 0.87 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL15116463 0.83 CTSS (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL15116398 0.83 CTSS (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL8142343 0.81 CA1 (0.58) CYP3A4CYP2C9CYP2C19KMT2ACA1
SCHEMBL21508904 0.81 TAS1R3 (0.43) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL7922247 0.81 CA1 (0.58) CYP3A4CYP2C9CYP2C19KMT2ACA1
SCHEMBL254254 0.81 CA1 (0.58) CYP3A4CYP2C9CYP2C19KMT2ACA1
SCHEMBL12435102 0.78 CA1 (0.37) SMN1; SMN2POLBCA1CA2CA7

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 — — US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 — — US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 — — US disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — 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-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 — — US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 — — US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 — — US disclosed
WO-2007002172-A2 HIV-1 PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 — — 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 (8 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 CYP3A4 183/4885CYP2C9 1144/4885CYP2C19 1323/4885
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CYP3A4 197/4885CYP2C9 951/4885CYP2C19 1067/4885
US-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 CYP3A4 1247/4885CYP2C9 3680/4885CYP2C19 3360/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 CYP3A4 730/4885CYP2C9 1224/4885CYP2C19 1442/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 CYP3A4 3905/4885CYP2C9 1696/4885CYP2C19 1621/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CYP3A4 1706/4885CYP2C9 1704/4885CYP2C19 1215/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 CYP3A4 197/4885CYP2C9 951/4885CYP2C19 1067/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CYP3A4 219/4885CYP2C9 1139/4885CYP2C19 1191/4885

“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.