SCHEMBL2434947

SCHEMBL2434947

CC(C)(C)OC(=O)N[C@@H](C(Cc1ccccc1)c1ccccc1)[C@@H](O)CC(Cc1ccc(Br)cc1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
ATM Q13315 1/20 0.47
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43
APP P05067 4/20 0.42
KLK5 Q9Y337 2/20 0.41
ACE P12821 1/20 0.40
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
REN P00797 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3804911 0.85 KLK5 (0.54) CTSSCTSKATMCTSBCTSL
SCHEMBL2438930 0.85 CYP3A4 (0.46) CTSSCTSKATMCTSBCTSL
SCHEMBL2436931 0.85 CYP3A4 (0.46) CTSSCTSKATMCTSBCTSL
SCHEMBL2436828 0.85 CYP3A4 (0.46) CTSSCTSKATMCTSBCTSL
SCHEMBL2434928 0.85 CYP3A4 (0.46) CTSSCTSKATMCTSBCTSL
SCHEMBL6010270 0.84 CTSS (0.48) CTSSCTSKATMCTSBCTSL
SCHEMBL3799999 0.76 ATM (0.60) CTSSCTSKATMCTSBCTSL
SCHEMBL6010398 0.76 ATM (0.60) CTSSCTSKATMCTSBCTSL
SCHEMBL3799997 0.76 ATM (0.60) CTSSCTSKATMCTSBCTSL
SCHEMBL3805582 0.74 ATM (0.55) CTSSCTSKATMCTSBCTSL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US 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 (3 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 CTSS 69/4885CTSK 204/4885ATM 2476/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CTSS 62/4885CTSK 76/4885ATM 4055/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP CTSS 62/4885CTSK 76/4885ATM 4055/4885

“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.