SCHEMBL14885782

SCHEMBL14885782

N=C(N)NCCC[C@@H]1NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.61
▸ ITGAV P06756 8/20 0.61
▸ ITGB1 P05556 2/20 0.61
▸ ITGA5 P08648 2/20 0.61
▸ ITGB5 P18084 4/20 0.60
▸ KEAP1 Q14145 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ MC4R P32245 7/20 0.51
▸ MC5R P33032 7/20 0.51
▸ MC3R P41968 7/20 0.51
▸ MC1R Q01726 7/20 0.51
▸ ITGA2B P08514 4/20 0.48

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 1.00 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL279121 0.93 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744481 0.93 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16188466 0.89 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16177739 0.89 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL18970023 0.89 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14075705 0.88 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22278847 0.88 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7743533 0.87 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605481 0.87 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200306377-A1 METHODS FOR ENHANCING 5-AMINOLEVULINIC ACID-BASED MEDICAL IMAGING AND PHOTOTHERAPY NANOCO TECHNOLOGIES LTD (GB) 2020-10-01 — — US disclosed
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
US-20130102993-A1 LIPOSOME COMPRISING ELASTIN-LIKE POLYPEPTIDE AND TUMOR CELL TARGETING MATERIAL AND USE THEREOF SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-04-25 — — 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 (3 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-20200306377-A1 METHODS FOR ENHANCING 5-AMINOLEVULINIC ACID-BASED MEDICAL IMAGING AND PHOTOTHERAPY ALAD, AADAT, SLC1A5 ITGB3 1797/4885ITGAV 238/4885ITGB1 2534/4885
US-20130102993-A1 LIPOSOME COMPRISING ELASTIN-LIKE POLYPEPTIDE AND TUMOR CELL TARGETING MATERIAL AND USE THEREOF LNPEP, EBPL, LIPG ITGB3 2998/4885ITGAV 2899/4885ITGB1 2810/4885
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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