SCHEMBL18970023

SCHEMBL18970023

C[C@@H](c1ccccc1)[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCN)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.51
▸ ITGAV P06756 12/20 0.51
▸ ITGB1 P05556 5/20 0.51
▸ ITGA5 P08648 5/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ ITGB5 P18084 3/20 0.48
▸ MC4R P32245 3/20 0.44
▸ MC5R P33032 3/20 0.44
▸ MC3R P41968 3/20 0.44
▸ MC1R Q01726 3/20 0.44
▸ HSP90AB1 P08238 1/20 0.42
▸ CTSG P08311 1/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ ITGB6 P18564 1/20 0.40
▸ ITGB8 P26012 1/20 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
SCHEMBL16177741 0.89 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14885782 0.89 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL16188466 0.85 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL16177739 0.84 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL279121 0.82 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL7744481 0.82 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL16188489 0.81 ITGAV (0.48) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14075705 0.78 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL7743802 0.78 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22278847 0.78 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5KEAP1

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-9775803-B2 Liposome comprising elastin-like polypeptide and tumor cell targeting material and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-10-03 — — US disclosed
US-20170165198-A9 LIPOSOME COMPRISING ELASTIN-LIKE POLYPEPTIDE AND TUMOR CELL TARGETING MATERIAL AND USE THEREOF SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-15 — — 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-20170165198-A9 LIPOSOME COMPRISING ELASTIN-LIKE POLYPEPTIDE AND TUMOR CELL TARGETING MATERIAL AND USE THEREOF LNPEP, EBPL, LIPG ITGB3 2998/4885ITGAV 2899/4885ITGB1 2810/4885

“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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