SCHEMBL5869449

SCHEMBL5869449

COC(=O)[C@H](CNCC(OC)OC)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.57
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CTSK P43235 7/20 0.51
CTSL P07711 4/20 0.50
CTSS P25774 4/20 0.50
CTSB P07858 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
TACR1 P25103 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL5869458 1.00 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL8867641 0.85 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL18425051 0.85 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL30485002 0.85 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL15123090 0.85 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL15123091 0.85 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL24130582 0.84 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL6498057 0.84 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL24130581 0.84 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSL
SCHEMBL3249670 0.84 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSL

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 KYNU 643/4885ALDH1A1 1305/4885ALOX15 1170/4885

“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.