SCHEMBL6740451

SCHEMBL6740451

C=C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.57
ATM Q13315 1/20 0.54
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
ACE P12821 1/20 0.50
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
APP P05067 1/20 0.48
AKT1 P31749 1/20 0.46
MAPT P10636 1/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL7276408 1.00 KLK5 (0.57) KLK5ATMCTSSCTSKCTSL
SCHEMBL6739450 1.00 KLK5 (0.57) KLK5ATMCTSSCTSKCTSL
SCHEMBL6875883 1.00 KLK5 (0.57) KLK5ATMCTSSCTSKCTSL
SCHEMBL7291654 0.90 BCL2 (0.53) KLK5ATMPPARAPPARG
SCHEMBL7291648 0.90 BCL2 (0.53) KLK5ATMPPARAPPARG
SCHEMBL4960155 0.88 KLK5 (0.58) KLK5ATMCTSSCTSKCTSL
SCHEMBL10054427 0.85 PPARA (0.58) KLK5ATMCTSSCTSKCTSL
SCHEMBL6832510 0.85 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL7425280 0.85 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL6445261 0.85 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL

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
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
US-5130468-A Process for the preparation of a dipeptide isostere ABBOTT LABORATORIES (US) 1992-07-14 US disclosed
WO-1992010510-A1 DITHIOLANO- AND DITHIANOGLYCIN-CONTAINING RENIN-INHIBITING PEPTIDES, PROCESS FOR PRODUCING THE SAME AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-25 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC KLK5 1266/4885ATM 3576/4885CTSS 14/4885

“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.