SCHEMBL14137303

SCHEMBL14137303

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CCC[C@@H](C(=O)NCC(=O)NCCOCCOCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.51
▸ ITGAV P06756 4/20 0.51
▸ ITGB1 P05556 2/20 0.51
▸ ITGA5 P08648 2/20 0.51
▸ ITGB5 P18084 3/20 0.47
▸ MC4R P32245 7/20 0.47
▸ MC5R P33032 7/20 0.47
▸ MC3R P41968 7/20 0.47
▸ MC1R Q01726 7/20 0.47
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.44
▸ ITGA2B P08514 4/20 0.43
▸ PLAU P00749 1/20 0.43
▸ FURIN P09958 1/20 0.43

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
SCHEMBL14096840 0.93 MC4R (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12837665 0.90 CTSG (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13656565 0.90 CTSG (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL11926071 0.84 CTSG (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14885782 0.84 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16177741 0.84 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13659869 0.84 CTSG (0.54) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12647201 0.83 MC4R (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744481 0.82 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL279121 0.82 ITGB3 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187493-A1 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma GE HEALTHCARE AS (NO) 2008-08-07 — — 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-20080187493-A1 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma KDR, VCAM1, FLT1 ITGB3 16/4885ITGAV 6/4885ITGB1 11/4885

“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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