SCHEMBL14932664

SCHEMBL14932664

CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 8/20 0.58
HTRA1 Q92743 8/20 0.58
FOLH1 Q04609 2/20 0.58
ALB P02768 2/20 0.57
WDR5 P61964 1/20 0.57
SLC5A2 P31639 2/20 0.48
ESR1 P03372 1/20 0.44
SHC1 P29353 1/20 0.44

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
SCHEMBL14932598 0.91 HTRA2 (0.62) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932612 0.89 HTRA2 (0.67) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932607 0.89 HTRA2 (0.54) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL21730313 0.85 ALB (0.59) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL16234096 0.83 HTRA2 (0.65) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932621 0.83 HTRA2 (0.65) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20235786 0.83 HTRA2 (0.64) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20047392 0.82 FOLH1 (0.51) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932614 0.82 HTRA2 (0.52) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20230256 0.82 WDR5 (0.56) HTRA2HTRA1FOLH1ALBWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2020-04-21 US disclosed
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY BROAD INST INC (US) 2018-06-07 US disclosed
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2014-11-13 US disclosed
WO-2013067391-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2013-05-10 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 (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-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY KDM1A, MAN2B1, KDM3A HTRA2 3856/4885HTRA1 1400/4885FOLH1 814/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A HTRA2 3856/4885HTRA1 1400/4885FOLH1 814/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A HTRA2 3894/4885HTRA1 1291/4885FOLH1 525/4885

“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.