SCHEMBL22189248

SCHEMBL22189248

N[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.55
ALB P02768 2/20 0.54
CA9 Q16790 4/20 0.50
USP2 O75604 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTRA2 O43464 4/20 0.46
HTRA1 Q92743 4/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SLC5A2 P31639 2/20 0.45

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
SCHEMBL22189249 1.00 FOLH1 (0.55) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL13077419 0.86 ALB (0.61) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL20661627 0.86 ALB (0.56) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL22189221 0.85 HTRA2 (0.60) FOLH1ALBHTRA2HTRA1SLC5A2
SCHEMBL22189219 0.85 HTRA2 (0.60) FOLH1ALBHTRA2HTRA1SLC5A2
SCHEMBL15130552 0.81 USP2 (0.62) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL13287065 0.80 USP2 (0.60) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL21730313 0.80 ALB (0.59) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL16295184 0.79 FOLH1 (0.68) FOLH1ALBCA9USP2L3MBTL1
SCHEMBL19449073 0.79 FOLH1 (0.63) FOLH1ALBCA9USP2L3MBTL1

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-11219697-B2 Osteoadsorptive fluorogenic substrate of cathepsin k for imaging osteoclast activity and migration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-11 US disclosed
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 (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-11219697-B2 Osteoadsorptive fluorogenic substrate of cathepsin k for imaging osteoclast activity and migration CTSS, CTSK, CTSF FOLH1 496/4885ALB 4711/4885CA9 718/4885
US-20200215205-A1 AN OSTEOADSORPTIVE FLUOROGENIC SUBSTRATE OF CATHEPSIN K FOR IMAGING OSTEOCLAST ACTIVITY AND MIGRATION CTSS, CTSK, CTSF FOLH1 451/4885ALB 4665/4885CA9 648/4885

“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.