Sugi Predict

Sugi Predict / Compounds / SCHEMBL29811071

SCHEMBL29811071

SCHEMBL29811071

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.65
▸ CRHR1 P34998 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ ITGB3 P05106 1/20 0.55
▸ ITGAV P06756 1/20 0.55
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ F2 P00734 3/20 0.51
▸ NPY2R P49146 6/20 0.51
▸ NPY4R P50391 6/20 0.51
▸ NPY5R Q15761 6/20 0.51
▸ NPY1R P25929 4/20 0.51

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
SCHEMBL29461520 0.96 CALCR (0.61) CALCRCRHR1CRHR2ITGB3ITGAV
SCHEMBL30495667 0.89 CALCR (0.67) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL10492942 0.88 CALCR (0.64) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29811046 0.88 CALCR (0.58) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29410240 0.87 CALCR (0.69) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182808 0.86 CALCR (0.69) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182659 0.86 CALCR (0.74) CALCRCRHR1CRHR2F2NPY2R
SCHEMBL31182920 0.86 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30945136 0.86 CALCR (0.69) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30932076 0.86 CALCR (0.82) CALCRCRHR1CRHR2HCRTR1HCRTR2

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-20230248816-A9 PROCESS FOR PREPARING A COMPOSITION COMPRISING A PROTEIN D POLYPEPTIDE GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2023-08-10 — — US disclosed
US-20230066762-A1 IMMUNOGENIC COMPOSITION GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2023-03-02 — — US disclosed
US-20220288190-A1 PROCESS FOR PREPARING A COMPOSITION COMPRISING A PROTEIN D POLYPEPTIDE GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-09-15 — — 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 (3 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-20220288190-A1 PROCESS FOR PREPARING A COMPOSITION COMPRISING A PROTEIN D POLYPEPTIDE CFD, PEPD, SERPINA6 CALCR 415/4885CRHR1 1654/4885CRHR2 1690/4885
US-20230248816-A9 PROCESS FOR PREPARING A COMPOSITION COMPRISING A PROTEIN D POLYPEPTIDE CFD, PEPD, SERPINA6 CALCR 415/4885CRHR1 1654/4885CRHR2 1690/4885
US-20230066762-A1 IMMUNOGENIC COMPOSITION CXCL10, CCL2, CCL11 CALCR 1308/4885CRHR1 1576/4885CRHR2 1516/4885

“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.

Send feedback