Sugi Predict

Sugi Predict / Compounds / SCHEMBL22214904

SCHEMBL22214904

SCHEMBL22214904

CC(O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](N)CNC(=O)CSCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 16/20 1.00
▸ SSTR2 P30874 14/20 1.00
▸ SSTR4 P31391 13/20 1.00
▸ SSTR3 P32745 8/20 1.00
▸ SSTR1 P30872 6/20 1.00

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
SCHEMBL24108700 1.00 SSTR5 (1.00) SSTR5SSTR2SSTR4SSTR3SSTR1
Depreotide SCHEMBL456503 0.82 SSTR5 (0.79) SSTR5SSTR2SSTR4SSTR3SSTR1
Depreotide SCHEMBL29399302 0.82 SSTR5 (0.79) SSTR5SSTR2SSTR4SSTR3SSTR1
Depreotide SCHEMBL17136142 0.81 SSTR5 (0.76) SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL17404637 0.75 SSTR4 (0.66) SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL18712360 0.74 SSTR4 (0.65) SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL17404638 0.74 SSTR4 (0.64) SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL21892057 0.74 SSTR4 (0.64) SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL18712834 0.74 SSTR4 (0.64) SSTR5SSTR2SSTR4SSTR3SSTR1
SCHEMBL22183424 0.74 SSTR2 (0.65) SSTR5SSTR2SSTR4SSTR3SSTR1

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-20210386877-A1 RADIOTHERAPEUTIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2021-12-16 — — US disclosed
WO-2020145977-A1 RADIOTHERAPEUTIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER ANDARIX PHARMACEUTICALS, INC. (US) 2020-07-16 — — WO 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-20210386877-A1 RADIOTHERAPEUTIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER HDAC5, SSTR5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SSTR5 2/4885SSTR2 20/4885SSTR4 11/4885

“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.