SCHEMBL18968795

SCHEMBL18968795

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.55
ITGAV P06756 8/20 0.55
ITGB5 P18084 5/20 0.55
ITGB1 P05556 2/20 0.55
ITGA5 P08648 2/20 0.55
ITGA2B P08514 4/20 0.54
MC4R P32245 8/20 0.54
MC5R P33032 8/20 0.54
MC3R P41968 8/20 0.54
MC1R Q01726 8/20 0.54

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
SCHEMBL14885799 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7743878 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7743533 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL16946584 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13107808 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL16938095 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL12547669 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL19581486 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL21475019 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL12808284 1.00 ITGB3 (0.55) ITGB3ITGAVITGB5ITGB1ITGA5

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 3 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-20170245976-A1 IMPLANTABLE BIOREACTOR FOR DELIVERY OF PARACRINE FACTORS UNIV JOHNS HOPKINS (US) 2017-08-31 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 (2 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 2899/4885ITGB5 2761/4885
US-20170245976-A1 IMPLANTABLE BIOREACTOR FOR DELIVERY OF PARACRINE FACTORS PGF, BMP2, FGF2 ITGB3 1309/4885ITGAV 1932/4885ITGB5 1613/4885

“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.