SCHEMBL17131965

SCHEMBL17131965

CC(C)CC1NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccccc2)CC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 1/20 0.56
▸ PCSK9 Q8NBP7 1/20 0.51
▸ ITGB3 P05106 2/20 0.51
▸ ITGAV P06756 2/20 0.51
▸ ITGB5 P18084 2/20 0.51
▸ PLG P00747 1/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ PDCD1 Q15116 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.50
▸ TFPI P10646 4/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ KRAS P01116 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48
▸ KLKB1 P03952 2/20 0.47
▸ NTSR1 P30989 1/20 0.46

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
SCHEMBL17133082 0.92 FLT1 (0.57) FLT1PCSK9ITGB3ITGAVITGB5
Loloatin A SCHEMBL6050533 0.91 FLT1 (0.56) FLT1PCSK9ITGB3ITGAVITGB5
Laterocidin SCHEMBL29824961 0.91 FLT1 (0.56) FLT1PCSK9ITGB3ITGAVITGB5
Gratisin SCHEMBL29885076 0.89 HDAC4 (0.58) FLT1ITGB3ITGAVITGB5PLG
Tyrocidine A SCHEMBL16418974 0.89 HDAC4 (0.55) FLT1PCSK9ITGB3ITGAVITGB5
Tyrocidine A SCHEMBL12131172 0.89 HDAC4 (0.55) FLT1PCSK9ITGB3ITGAVITGB5
Tyrocidine A SCHEMBL14399288 0.89 HDAC4 (0.55) FLT1PCSK9ITGB3ITGAVITGB5
Tyrocidine A1 SCHEMBL31412201 0.87 HDAC4 (0.56) FLT1PCSK9ITGB3ITGAVITGB5
Tyrocidine A1 SCHEMBL29489412 0.87 HDAC4 (0.56) FLT1PCSK9ITGB3ITGAVITGB5
Tyrothricin SCHEMBL23370286 0.87 TFPI (0.53) FLT1PCSK9ITGB3ITGAVITGB5

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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 — — US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 — — 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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C FLT1 3963/4885PCSK9 4169/4885ITGB3 4816/4885

“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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