Sugi Predict

Sugi Predict / Compounds / SCHEMBL20104581

SCHEMBL20104581

SCHEMBL20104581

N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 3/20 0.62
▸ SSTR1 P30872 1/20 0.59
▸ SSTR2 P30874 1/20 0.59
▸ SSTR3 P32745 1/20 0.59
▸ SSTR5 P35346 1/20 0.59
▸ MC4R P32245 11/20 0.58
▸ MC5R P33032 11/20 0.58
▸ MC3R P41968 11/20 0.58
▸ MC1R Q01726 10/20 0.58
▸ PDCD1 Q15116 1/20 0.57
▸ CD274 Q9NZQ7 1/20 0.57
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL20104588 0.94 PCSK9 (0.62) PCSK9MC4RMC5RMC3RMC1R
SCHEMBL20104590 0.93 SSTR1 (0.58) PCSK9SSTR1SSTR2SSTR3SSTR5
SCHEMBL20104642 0.92 MC4R (0.59) PCSK9SSTR1SSTR2SSTR3SSTR5
SCHEMBL20100616 0.90 KLKB1 (0.59) PCSK9SSTR1SSTR2SSTR3SSTR5
SCHEMBL20104643 0.90 PCSK9 (0.59) PCSK9MC4RMC5RMC3RMC1R
SCHEMBL20104592 0.89 PCSK9 (0.58) PCSK9MC4RMC5RMC3RMC1R
SCHEMBL20104593 0.89 PCSK9 (0.58) PCSK9MC4RMC5RMC3RMC1R
SCHEMBL20100614 0.88 MC4R (0.57) PCSK9SSTR1SSTR2SSTR3SSTR5
SCHEMBL29666534 0.87 HDAC3 (0.61) PCSK9CD274HDAC3HDAC4HDAC1
SCHEMBL31615094 0.87 HDAC3 (0.62) SSTR1SSTR2SSTR3SSTR5HDAC3

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 2460/4885SSTR1 126/4885SSTR2 260/4885
US-20180118789-A1 CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF MC3R, MC4R, MC1R PCSK9 2460/4885SSTR1 126/4885SSTR2 260/4885

“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.