SCHEMBL3297015

SCHEMBL3297015

N=C(N)c1ccc(NC(=O)CCC=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.59
▸ ITGA2B P08514 10/20 0.59
▸ F2 P00734 2/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57
▸ TMPRSS6 Q8IU80 1/20 0.57
▸ ST14 Q9Y5Y6 1/20 0.57
▸ KLK1 P06870 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48

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
Hydrochloric Acid SCHEMBL6978866 0.98 ITGB3 (0.58) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3290955 0.84 ITGB3 (0.81) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL13094271 0.83 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL13094273 0.83 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL6983890 0.83 ITGB3 (0.78) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL10441109 0.82 CYP1A2 (0.54) —
Hydrochloric Acid SCHEMBL30701848 0.82 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3093114 0.82 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8502841 0.82 ITGB3 (0.68) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL30314839 0.82 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732412-B2 Methods of treatment using novel LHRH antagonists having improved solubility properties ZENTARIS GMBH (DE) 2010-06-08 — — US disclosed
US-20060281685-A1 METHODS OF TREATMENT USING NOVEL LHRH ANTAGONISTS HAVING IMPROVED SOLUBILITY PROPERTIES ZENTARIS GMBH (DE) 2006-12-14 — — US disclosed
US-7148195-B2 LHRH antagonists having improved solubility properties ZENTARIS GMBH (DE) 2006-12-12 — — US disclosed
US-20040266695-A1 Novel LHRH antagonists having improved solubility properties BERND MICHAEL 2004-12-30 — — US disclosed
US-6627609-B1 Peptides which contain N-methylated amino acid units and have improved water solubility. Medicaments in which the peptides according to the invention are contained can be used for the treatment of hormone- dependent tumours and ZENTARIS AG (DE) 2003-09-30 — — US disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 — — 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-20060281685-A1 METHODS OF TREATMENT USING NOVEL LHRH ANTAGONISTS HAVING IMPROVED SOLUBILITY PROPERTIES GNRHR, PRLHR, FSHR ITGB3 4090/4885ITGA2B 4610/4885F2 898/4885
US-20040266695-A1 Novel LHRH antagonists having improved solubility properties LHCGR, GNRHR, PRLHR ITGB3 4858/4885ITGA2B 4879/4885F2 4234/4885

“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.

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