SCHEMBL5869839

SCHEMBL5869839

CC(C)CC(NC(CCNC(=O)OCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.57
SLC1A1 P43005 1/20 0.57
CTSK P43235 4/20 0.55
CTSS P25774 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53

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
SCHEMBL5869829 1.00 SLC1A3 (0.57) SLC1A3SLC1A1CTSKCTSSCTSL
SCHEMBL5869834 1.00 SLC1A3 (0.57) SLC1A3SLC1A1CTSKCTSSCTSL
SCHEMBL11130487 1.00 SLC1A3 (0.57) SLC1A3SLC1A1CTSKCTSSCTSL
SCHEMBL10349204 0.94 SLC1A3 (0.54) SLC1A3SLC1A1CTSKCTSSCTSL
Hydrochloric Acid SCHEMBL10349013 0.93 SLC1A3 (0.53) SLC1A3SLC1A1CTSKCTSSCTSL
SCHEMBL10706501 0.90 CA5A (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7356544 0.83 CTSL (0.59) CTSKCTSSCTSLCAPN1
SCHEMBL11131051 0.83 CTSL (0.59) CTSKCTSSCTSLCAPN1
SCHEMBL16269961 0.83 SLC1A3 (0.60) SLC1A3SLC1A1CPB1CPB2
SCHEMBL16269913 0.83 SLC1A3 (0.60) SLC1A3SLC1A1CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 SLC1A3 1507/4885SLC1A1 1365/4885CTSK 541/4885

“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.