SCHEMBL6431948

SCHEMBL6431948

CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
PSEN1 P49768 11/20 0.52
PSEN2 P49810 11/20 0.52
APH1B Q8WW43 11/20 0.52
NCSTN Q92542 11/20 0.52
APH1A Q96BI3 11/20 0.52
PSENEN Q9NZ42 11/20 0.52
SPPL2A Q8TCT8 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
CYP3A4 P08684 5/20 0.45
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL6431945 1.00 CTSB (0.55) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL7400099 0.89 REN (0.49) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL8568989 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8564599 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443651 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443658 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329015 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5394908 0.83 MMP1 (0.44) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL5401492 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5872214 0.81 LAP3 (0.48) CTSBPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors G.D. Searle & Co. (now G.D. Searle, LLC) (US) 2007-01-18 US disclosed
EP-0813868-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
EP-0558603-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-08-26 EP disclosed
EP-0558630-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-04-08 EP disclosed
EP-0815856-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-01-07 EP disclosed
EP-0813867-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
EP-0813868-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
US-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
US-5620977-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-04-15 US disclosed
US-5610190-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
US-5475013-A Inhibit human immunodeficiency virus protease MONSANTO COMPANY (US) 1995-12-12 US disclosed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-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
WO-1992008688-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 (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-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors TMPRSS15, TMPRSS11D, MME CTSB 78/4885PSEN1 647/4885PSEN2 1163/4885

“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.