SCHEMBL9970952

SCHEMBL9970952

CC(C)[C@H](NC(=O)OCc1ccccc1)[PH](=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
CTSK P43235 5/20 0.52
CTRB1 P17538 2/20 0.51
PRTN3 P24158 2/20 0.51
CTSS P25774 5/20 0.50
CTSL P07711 4/20 0.50
CTSB P07858 3/20 0.50

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
SCHEMBL5075352 1.00 ATM (0.54) ATMELANECTSKCTRB1PRTN3
SCHEMBL1764625 0.85 ATM (0.57) ATMELANECTSKCTRB1PRTN3
SCHEMBL6926649 0.85 ATM (0.57) ATMELANECTSKCTRB1PRTN3
SCHEMBL9312050 0.84 ELANE (0.50) ATMELANECTSKCTRB1PRTN3
SCHEMBL14704026 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3
SCHEMBL12942877 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3
SCHEMBL12906609 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3
SCHEMBL6841166 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3
SCHEMBL9619639 0.80 ATM (0.54) ATMELANECTSKCTRB1PRTN3
SCHEMBL308291 0.80 ATM (0.64) ATMELANECTSKCTRB1CTSS

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
EP-2470672-B1 COMPOUNDS FOR DETECTING PROTEASES UNIV BELFAST (GB) 2016-10-12 EP disclosed
US-9340820-B2 Compounds and methods for protease detection QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-17 US disclosed
US-20120156691-A1 COMPOUND QUEEN'S UNIVERSITY OF BELFAST 2012-06-21 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-20120156691-A1 COMPOUND DNPEP, TMPRSS15, PEPD ATM 4453/4885ELANE 51/4885CTSK 41/4885

“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.