Sugi Predict

Sugi Predict / Compounds / SCHEMBL974301

SCHEMBL974301

SCHEMBL974301

CCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 6/20 0.43
▸ KLK5 Q9Y337 5/20 0.43
▸ PPARA Q07869 3/20 0.42
▸ PLA2G10 O15496 1/20 0.38
▸ PLA2G5 P39877 1/20 0.38
▸ IL6ST P40189 1/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 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
SCHEMBL6448978 1.00 KLK7 (0.43) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL2025733 1.00 KLK7 (0.43) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL6448977 1.00 KLK7 (0.43) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL7081418 0.94 PPARA (0.46) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL7081419 0.94 PPARA (0.46) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL7081422 0.94 PPARA (0.46) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL8828126 0.93 PPARA (0.40) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL8011986 0.92 PPARA (0.39) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL8554608 0.92 FAAH (0.40) KLK7KLK5PPARAPLA2G10PLA2G5
SCHEMBL17756172 0.92 PPARA (0.39) KLK7KLK5PPARAPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975050-B2 Process for preparing optically pure (R)-4-n-propyl-dihydrofuran-2(3H)-one BEIJING ABLEPHARMTECH CO., LTD. (CN) 2021-04-13 — — US disclosed
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 — — US disclosed
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 — — US disclosed
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 — — US disclosed
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 — — US disclosed
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 — — US disclosed
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 — — US disclosed
EP-2295054-A1 Ice inhibitors for the treatment of autoinflammatory diseases Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
US-7875712-B2 inhibitors of apoptosis and IL-1 beta secretion; mediate cell apoptosis and inflammation; good cell penetration and pharmacokinetic properties; [3S/R(2S)]3-[2-(Carbazol-9-yl-2-oxo-ethyl)-pentanoylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-25 — — US disclosed
US-7875712-B2 inhibitors of apoptosis and IL-1 beta secretion; mediate cell apoptosis and inflammation; good cell penetration and pharmacokinetic properties; [3S/R(2S)]3-[2-(Carbazol-9-yl-2-oxo-ethyl)-pentanoylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-25 — — US disclosed
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
EP-1778221-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES Vertex Pharmaceuticals Incorporated (US) 2007-05-02 — — EP disclosed
WO-2005117846-A2 ICE INHIBITORS FOR THE TREATMENT OF AUTOINFLAMMATORY DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 — — WO disclosed
US-20050267101-A1 Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases VERTEX PHARMACEUTICALS INCORPORATED 2005-12-01 — — US disclosed
EP-1499898-A2 REGULATION OF TNF-ALPHA Vertex Pharmaceuticals Incorporated (US) 2005-01-26 — — EP disclosed
US-20040048797-A1 Regulation of TNF-alpha VERTEX PHARMACEUTICALS INCORPORATED 2004-03-11 — — US disclosed
EP-1392289-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-03-03 — — EP disclosed
WO-2003088917-A2 REGULATION OF TNF-ALPHA VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-10-30 — — WO disclosed
US-20030092703-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 — — US disclosed
WO-2002094263-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-28 — — 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 (6 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-10975050-B2 Process for preparing optically pure (R)-4-n-propyl-dihydrofuran-2(3H)-one DCXR, HPD, PGLS KLK7 4540/4885KLK5 3923/4885PPARA 3146/4885
US-20080015172-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 KLK7 3087/4885KLK5 3151/4885PPARA 4388/4885
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 KLK7 3013/4885KLK5 3032/4885PPARA 4380/4885
US-20040048797-A1 Regulation of TNF-alpha TNF, TNFRSF1A, TNFRSF9 KLK7 699/4885KLK5 399/4885PPARA 2772/4885
US-20050267101-A1 Interleukin-1 beta converting enzyme inhibitor: 3-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-3-formylpropionic acid or 4-(1-((4-amino-3-chlorobenzoylamino)tert-butylacetyl)-2-pyrrolidinylcarbonylamino)-5-ethoxy-2-tetrahydrofuranone; autoinflammatory diseases IL1B, IL1A, NFKBIA KLK7 2913/4885KLK5 1800/4885PPARA 1246/4885
US-20030092703-A1 Caspase inhibitors and uses thereof CASP1, CASP2, CASP3 KLK7 2293/4885KLK5 2327/4885PPARA 3920/4885

“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.