Sugi Predict

Sugi Predict / Compounds / SCHEMBL10046415

SCHEMBL10046415

SCHEMBL10046415

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRB7 Q14451 1/20 0.54
▸ ITGB3 P05106 3/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGAV P06756 1/20 0.53
▸ ITGA5 P08648 1/20 0.53
▸ ITGB5 P18084 1/20 0.53
▸ MC4R P32245 6/20 0.52
▸ MC5R P33032 6/20 0.52
▸ MC3R P41968 6/20 0.52
▸ MC1R Q01726 6/20 0.52
▸ CACNA1B Q00975 1/20 0.51
▸ ITGA2B P08514 2/20 0.51
▸ CTSG P08311 1/20 0.50
▸ TSLP Q969D9 7/20 0.50
▸ KLKB1 P03952 1/20 0.48

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
SCHEMBL12462669 1.00 GRB7 (0.54) GRB7ITGB3ITGB1ITGAVITGA5
SCHEMBL20809943 1.00 GRB7 (0.54) GRB7ITGB3ITGB1ITGAVITGA5
SCHEMBL22003472 0.97 GRB7 (0.53) GRB7ITGB3ITGB1ITGAVITGA5
SCHEMBL22382215 0.93 TSLP (0.54) GRB7MC4RMC5RMC3RMC1R
SCHEMBL14962542 0.93 MC4R (0.53) GRB7ITGB3ITGB1ITGAVITGA5
SCHEMBL14107743 0.93 TSLP (0.54) GRB7MC4RMC5RMC3RMC1R
SCHEMBL14107827 0.93 TSLP (0.54) GRB7MC4RMC5RMC3RMC1R
SCHEMBL13124517 0.93 ITGB3 (0.59) GRB7ITGB3ITGB1ITGAVITGA5
SCHEMBL12353630 0.93 CACNA1B (0.59) GRB7ITGB3ITGB1ITGAVITGA5
SCHEMBL14962605 0.92 MC4R (0.54) GRB7ITGB3ITGB1ITGAVITGA5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723991-B2 Radiopharmaceutical compositions SERAC HEALTHCARE LIMITED (GB) 2023-08-15 — — US disclosed
US-20210060189-A1 RADIOPHARMACEUTICAL COMPOSITIONS SERAC HEALTHCARE LIMITED (GB) 2021-03-04 — — US disclosed
US-20130129623-A1 RADIOPHARMACEUTICAL COMPOSITIONS GE HEALTHCARE LIMTED (GB) 2013-05-23 — — US disclosed
US-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 — — US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 — — US disclosed
US-7994134-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2011-08-09 — — US disclosed
US-20090203584-A1 Peptide-based Compounds GE HEALTHCARE LIMITED (GB) 2009-08-13 — — 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 (5 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-20090203584-A1 Peptide-based Compounds ITGB3, ITGAV, SELPLG GRB7 600/4885ITGB3 1/4885ITGB1 4/4885
US-11723991-B2 Radiopharmaceutical compositions TYMP, KIT, CHEK1 GRB7 1916/4885ITGB3 2816/4885ITGB1 3316/4885
US-20210060189-A1 RADIOPHARMACEUTICAL COMPOSITIONS TYMP, KIT, CHEK1 GRB7 1916/4885ITGB3 2816/4885ITGB1 3316/4885
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG GRB7 600/4885ITGB3 1/4885ITGB1 4/4885
US-20130129623-A1 RADIOPHARMACEUTICAL COMPOSITIONS TYMP, KIT, CHEK1 GRB7 1765/4885ITGB3 2899/4885ITGB1 3420/4885

“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.