SCHEMBL14439775

SCHEMBL14439775

O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)OP

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ACE P12821 1/20 0.51
HDAC8 Q9BY41 2/20 0.51
PARP1 P09874 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
HDAC6 Q9UBN7 5/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL5966500 0.87 HDAC1 (0.63) PARP1PARP3HDAC6HDAC1
SCHEMBL4145476 0.87 HDAC1 (0.63) PARP1PARP3HDAC6HDAC1
SCHEMBL4145473 0.87 HDAC1 (0.63) PARP1PARP3HDAC6HDAC1
SCHEMBL13673884 0.86 ACE (0.67) CTSGCMA1ITGB3ITGA2BACE
SCHEMBL4152421 0.86 ACE (0.67) CTSGCMA1ITGB3ITGA2BACE
SCHEMBL8257179 0.85 ITGB3 (0.48) CTSGCMA1ITGB3ITGA2BACE
SCHEMBL23169896 0.84 ALDH1A1 (0.62) CTSGCMA1ITGB3ITGA2BACE
SCHEMBL5458748 0.83 ITGB3 (0.65) CTSGCMA1ITGB3ITGA2BACE
SCHEMBL4153095 0.83 ITGB3 (0.65) CTSGCMA1ITGB3ITGA2BACE
SCHEMBL4153101 0.83 ITGB3 (0.65) CTSGCMA1ITGB3ITGA2BACE

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-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 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-20070185060-A1 Boronic acid thrombin inhibitors F2, ECE1, BCAT1 CTSG 1511/4885CMA1 260/4885ITGB3 1337/4885

“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.