SCHEMBL13445984

SCHEMBL13445984

CC1CC(=O)N(CCC(=O)N[C@@H](CCCCNC(=O)CN=[N+]=[N-])C(=O)NCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ ITGB3 P05106 11/20 0.48
▸ ITGAV P06756 11/20 0.48
▸ ITGB1 P05556 2/20 0.48
▸ ITGA5 P08648 2/20 0.48
▸ MC4R P32245 2/20 0.44
▸ MC5R P33032 2/20 0.44
▸ MC3R P41968 2/20 0.44
▸ MC1R Q01726 2/20 0.44
▸ ITGB5 P18084 6/20 0.41
▸ TPSAB1 Q15661 2/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA10 Q9GZZ6 1/20 0.40
▸ CHRNA9 Q9UGM1 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ F2RL1 P55085 2/20 0.40

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
SCHEMBL13445979 0.92 ITGB3 (0.50) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13446003 0.92 ITGB3 (0.51) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13446002 0.86 KEAP1 (0.46) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13445981 0.85 KEAP1 (0.49) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13446019 0.84 KEAP1 (0.50) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13446001 0.84 KEAP1 (0.50) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13446017 0.83 KEAP1 (0.49) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13446000 0.83 KEAP1 (0.49) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13445988 0.83 KEAP1 (0.42) KEAP1NFE2L2ITGB3ITGAVITGB1
SCHEMBL13473763 0.82 ITGAV (0.41) KEAP1NFE2L2ITGB3ITGAVITGB1

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 KEAP1 1223/4885NFE2L2 3206/4885ITGB3 251/4885

“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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