SCHEMBL14883291

SCHEMBL14883291

CCCCCC1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.49
▸ MC5R P33032 10/20 0.49
▸ MC3R P41968 10/20 0.49
▸ MC1R Q01726 10/20 0.49
▸ PIN1 Q13526 2/20 0.45
▸ ITGB3 P05106 6/20 0.44
▸ ITGAV P06756 4/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ CACNA1B Q00975 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ ITGA2B P08514 2/20 0.42

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
SCHEMBL10000329 0.93 CACNA1B (0.49) MC4RMC5RMC3RMC1RPIN1
SCHEMBL24975502 0.93 PIN1 (0.49) MC4RMC5RMC3RMC1RPIN1
SCHEMBL15853554 0.92 MC4R (0.46) MC4RMC5RMC3RMC1RPIN1
SCHEMBL12146076 0.92 ITGB3 (0.50) MC4RMC5RMC3RMC1RPIN1
SCHEMBL22872754 0.90 ITGB3 (0.49) MC4RMC5RMC3RMC1RPIN1
SCHEMBL25474210 0.88 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19605464 0.88 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL10259650 0.87 MC4R (0.62) MC4RMC5RMC3RMC1RITGB3
SCHEMBL29666716 0.86 PIN1 (0.46) MC4RMC5RMC3RMC1RPIN1
SCHEMBL29569086 0.86 ITGB3 (0.49) MC4RMC5RMC3RMC1RITGB3

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-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 (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-20130102993-A1 LIPOSOME COMPRISING ELASTIN-LIKE POLYPEPTIDE AND TUMOR CELL TARGETING MATERIAL AND USE THEREOF LNPEP, EBPL, LIPG MC4R 2977/4885MC5R 4145/4885MC3R 3546/4885
US-20170165198-A9 LIPOSOME COMPRISING ELASTIN-LIKE POLYPEPTIDE AND TUMOR CELL TARGETING MATERIAL AND USE THEREOF LNPEP, EBPL, LIPG MC4R 2977/4885MC5R 4145/4885MC3R 3546/4885

“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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