SCHEMBL13445979

SCHEMBL13445979

[N-]=[N+]=NCC(=O)NCCCC[C@H](NC(=O)CCN1C(=O)C=CC1=O)C(=O)NCCOCCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.50
▸ ITGAV P06756 10/20 0.50
▸ ITGB1 P05556 3/20 0.50
▸ ITGA5 P08648 3/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ MC4R P32245 3/20 0.45
▸ MC5R P33032 3/20 0.45
▸ MC3R P41968 3/20 0.45
▸ MC1R Q01726 3/20 0.45
▸ ITGB5 P18084 4/20 0.43
▸ TPSAB1 Q15661 4/20 0.42
▸ HSP90AB1 P08238 1/20 0.40
▸ F2RL1 P55085 1/20 0.39

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
SCHEMBL13446003 0.99 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL13445984 0.92 KEAP1 (0.51) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL13445988 0.88 KEAP1 (0.42) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL13481626 0.84 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL8205616 0.84 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL13299963 0.83 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21186264 0.83 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21907003 0.83 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21906964 0.83 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL16359838 0.83 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R

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-8293206-B2 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-10-23 — — US disclosed
US-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 — — 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-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment MKI67, CD47, CD68 ITGB3 251/4885ITGAV 204/4885ITGB1 372/4885

“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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