SCHEMBL20365629

SCHEMBL20365629

Nc1ccc(CC(NC(=O)CCCCCOC(=O)c2ccc(N)cc2)C(=O)OCCCCCC(=O)Oc2ccc(N)c(Nc3ccc(C(=O)OCCOCC(=O)NC(Cc4ccc(N)cc4)C(=O)OCCOCC(=O)Oc4ccc(N)cc4)cc3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.34
▸ ITGA2B P08514 3/20 0.34
▸ HDAC1 Q13547 6/20 0.34
▸ HDAC6 Q9UBN7 6/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ TMPRSS2 O15393 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ F12 P00748 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ HPN P05981 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL11921775 0.84 ITGB3 (0.45) ITGB3ITGA2BHDAC1HDAC6CYP1A2
SCHEMBL11921776 0.83 NPC1 (0.40) CYP1A2MEN1CYP2D6KMT2ANPC1
SCHEMBL11921789 0.78 NPC1 (0.41) ITGB3ITGA2BHDAC1HDAC6CYP1A2
SCHEMBL11921787 0.77 LMNA (0.36) CYP1A2CYP2D6NPC1MAPTRAB9A
SCHEMBL11925962 0.72 HDAC1 (0.40) ITGB3ITGA2BHDAC1HDAC6PRSS1
SCHEMBL11921774 0.72 GAA (0.43) PRSS1PRSS2PRSS3CYP1A2MEN1
SCHEMBL19771684 0.72 NPC1 (0.39) CYP1A2MEN1CYP2D6KMT2ANPC1
SCHEMBL11925961 0.71 TMPRSS15 (0.35) PRSS1PRSS2PRSS3
SCHEMBL15259407 0.70 CYP1A2 (0.37) ITGB3ITGA2BHDAC1HDAC6PRSS1
SCHEMBL11921753 0.70 PRSS1 (0.38) ITGB3ITGA2BHDAC1HDAC6PRSS1

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-10550072-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2020-02-04 — — US disclosed
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-07-12 — — 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-10550072-B2 Amino acid derivatives and absorbable polymers therefrom SRRM2, SLC7A1, BCAT2 ITGB3 390/4885ITGA2B 710/4885HDAC1 4332/4885
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 ITGB3 390/4885ITGA2B 710/4885HDAC1 4332/4885

“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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