SCHEMBL4901440

SCHEMBL4901440

C[C@@H](CCS)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL6738189 1.00 NOS1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL4904933 0.83 CA1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL15681455 0.83 CA1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL4896313 0.83 CA1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL14593930 0.83 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL28718237 0.83 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL24719148 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL17449756 0.81 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL13847625 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL934150 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
EP-0815856-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 WO disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (5 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 NOS1 4250/4885NOS3 3997/4885NOS2 4476/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP NOS1 2347/4885NOS3 1831/4885NOS2 2704/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 NOS1 3360/4885NOS3 3221/4885NOS2 3867/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 NOS1 4403/4885NOS3 3997/4885NOS2 4575/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 NOS1 3360/4885NOS3 3221/4885NOS2 3867/4885

“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.