SCHEMBL20235804

SCHEMBL20235804

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 8/20 0.62
HTRA1 Q92743 8/20 0.62
WDR5 P61964 1/20 0.48
FOLH1 Q04609 1/20 0.47
ALB P02768 3/20 0.45
TERF2IP Q9NYB0 2/20 0.45
SHC1 P29353 2/20 0.44
SLC5A2 P31639 2/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KLK7 P49862 1/20 0.41

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
SCHEMBL14932612 0.93 HTRA2 (0.67) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL14932621 0.87 HTRA2 (0.65) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL16234096 0.87 HTRA2 (0.65) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL20235786 0.86 HTRA2 (0.64) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL20235710 0.85 HTRA2 (0.49) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL14932664 0.82 HTRA2 (0.58) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL20235785 0.80 HTRA2 (0.60) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL14932607 0.79 HTRA2 (0.54) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL14932598 0.76 HTRA2 (0.62) HTRA2HTRA1WDR5FOLH1ALB
SCHEMBL21128744 0.76 HTRA2 (0.58) HTRA2HTRA1WDR5FOLH1ALB

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1400/4885WDR5 1677/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A HTRA2 3856/4885HTRA1 1400/4885WDR5 1677/4885

“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.