SCHEMBL22189221

SCHEMBL22189221

NCCC(=O)NC(CCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 8/20 0.60
HTRA1 Q92743 8/20 0.60
ALB P02768 2/20 0.58
FOLH1 Q04609 3/20 0.54
WDR5 P61964 1/20 0.44
SLC5A2 P31639 1/20 0.42

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
SCHEMBL22189219 1.00 HTRA2 (0.60) HTRA2HTRA1ALBFOLH1WDR5
SCHEMBL20661627 0.93 ALB (0.56) HTRA2HTRA1ALBFOLH1
SCHEMBL22189248 0.85 FOLH1 (0.55) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL22189249 0.85 FOLH1 (0.55) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL24943218 0.82 ALB (0.59) HTRA2HTRA1ALBFOLH1
SCHEMBL24062674 0.81 ALB (0.59) HTRA2HTRA1ALBFOLH1
SCHEMBL21766754 0.80 HTRA2 (0.60) HTRA2HTRA1ALBFOLH1WDR5
SCHEMBL18162918 0.79 ALB (0.64) HTRA2HTRA1ALBFOLH1
SCHEMBL23314226 0.79 ALB (0.61) HTRA2HTRA1ALBFOLH1WDR5
SCHEMBL24943566 0.78 ALB (0.61) HTRA2HTRA1ALBFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200215205-A1 AN OSTEOADSORPTIVE FLUOROGENIC SUBSTRATE OF CATHEPSIN K FOR IMAGING OSTEOCLAST ACTIVITY AND MIGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-09 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 (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-20200215205-A1 AN OSTEOADSORPTIVE FLUOROGENIC SUBSTRATE OF CATHEPSIN K FOR IMAGING OSTEOCLAST ACTIVITY AND MIGRATION CTSS, CTSK, CTSF HTRA2 2322/4885HTRA1 926/4885ALB 4665/4885

“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.