Sugi Predict

Sugi Predict / Compounds / SCHEMBL29742947

SCHEMBL29742947

SCHEMBL29742947

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.62
▸ CALCR P30988 4/20 0.62
▸ CRHR1 P34998 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58
▸ MC4R P32245 1/20 0.57
▸ C5AR1 P21730 1/20 0.57

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
SCHEMBL30726629 0.98 F2 (0.63) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL31000937 0.97 F2 (0.63) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL30844080 0.90 CALCR (0.67) F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30495631 0.90 F2 (0.66) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL30607303 0.89 CALCR (0.69) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL30262245 0.88 MC4R (0.62) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL29884239 0.88 CALCR (0.69) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL31745572 0.88 CALCR (0.63) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL31182654 0.87 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31014074 0.87 CALCR (0.75) F2CALCRCRHR1CRHR2NPY2R

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
WO-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO disclosed
US-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-23 — — 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 (1 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-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF TUBB6, GALNT10, TUBB F2 4877/4885CALCR 4572/4885CRHR1 3874/4885

“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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