SCHEMBL6092218

SCHEMBL6092218

C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
MME P08473 3/20 0.54
ACE P12821 8/20 0.51
ANPEP P15144 1/20 0.51
ECE1 P42892 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51

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
SCHEMBL16821240 0.90 SLC1A3 (0.49) LTA4HMMEACEANPEPECE1
SCHEMBL6830160 0.90 SLC1A3 (0.49) LTA4HMMEACEANPEPECE1
SCHEMBL6179143 0.89 ALDH1A1 (0.52) ITGB3ITGA2B
SCHEMBL14542772 0.83 SLC1A3 (0.43) LTA4HMMEACEANPEPECE1
SCHEMBL12513992 0.83 SLC1A3 (0.43) LTA4HMMEACEANPEPECE1
SCHEMBL6093215 0.83 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL5502396 0.83 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL6668234 0.83 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL29613221 0.83 SLC1A3 (0.57) LTA4HMMEACEANPEPECE1
SCHEMBL18697078 0.81 SLC1A3 (0.60) LTA4HMMEITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 LTA4H 337/4885MME 212/4885ACE 87/4885

“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.