SCHEMBL20104572

SCHEMBL20104572

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.52
TUBB4A P04350 3/20 0.52
TUBB P07437 3/20 0.52
TUBA3C P0DPH7 3/20 0.52
TUBA1B P68363 3/20 0.52
TUBA4A P68366 3/20 0.52
TUBB4B P68371 3/20 0.52
TUBB3 Q13509 3/20 0.52
TUBB2A Q13885 3/20 0.52
TUBB8 Q3ZCM7 3/20 0.52
TUBA3E Q6PEY2 3/20 0.52
TUBA1A Q71U36 3/20 0.52
TUBA1C Q9BQE3 3/20 0.52
TUBB6 Q9BUF5 3/20 0.52
TUBB2B Q9BVA1 3/20 0.52
TUBB1 Q9H4B7 3/20 0.52
MC1R Q01726 6/20 0.52
MC4R P32245 5/20 0.52
MC5R P33032 5/20 0.52
F12 P00748 2/20 0.52

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
SCHEMBL20104573 0.99 TUBB4A (0.52) PCSK9TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20104589 0.98 MC1R (0.53) PCSK9TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20104592 0.94 PCSK9 (0.58) PCSK9TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20104593 0.94 PCSK9 (0.58) PCSK9TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20104643 0.94 PCSK9 (0.59) PCSK9MC1RMC4RMC5RF12
SCHEMBL20104590 0.89 SSTR1 (0.58) PCSK9MC1RMC4RMC5RMC3R
SCHEMBL20100614 0.87 MC4R (0.57) PCSK9MC1RMC4RMC5RMC3R
SCHEMBL20104581 0.84 PCSK9 (0.62) PCSK9MC1RMC4RMC5RMC3R
SCHEMBL20104588 0.83 PCSK9 (0.62) PCSK9MC1RMC4RMC5RMC3R
SCHEMBL20100616 0.80 KLKB1 (0.59) PCSK9MC1RMC4RMC5RMC3R

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-11124541-B2 Chimeric melanocortin ligands and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-09-21 US disclosed
US-20180118789-A1 CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-05-03 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-11124541-B2 Chimeric melanocortin ligands and methods of use thereof MC3R, MC4R, MC1R PCSK9 2460/4885TUBB4A 3219/4885TUBB 3908/4885
US-20180118789-A1 CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF MC3R, MC4R, MC1R PCSK9 2460/4885TUBB4A 3219/4885TUBB 3908/4885

“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.